benzyl 4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoate;benzyl 4-(4-nitrophenoxy)carbonyloxybenzoate;[4-[4-[2-[5-[carbamoyl-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]indol-1-yl]ethyl]piperidine-1-carbonyl]phenyl] N-[(2,4-diamino-5-methylquinazolin-6-yl)methyl]-N-(3,4,5-trimethoxyphenyl)carbamate;4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoic acid;1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-(2-piperidin-4-ylethyl)indol-5-yl]urea;ethane;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine

C182H195N31O36 — CID 162235681

IUPACbenzyl 4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoate;benzyl 4-(4-nitrophenoxy)carbonyloxybenzoate;[4-[4-[2-[5-[carbamoyl-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]indol-1-yl]ethyl]piperidine-1-carbonyl]phenyl] N-[(2,4-diamino-5-methylquinazolin-6-yl)methyl]-N-(3,4,5-trimethoxyphenyl)carbamate;4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoic acid;1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-(2-piperidin-4-ylethyl)indol-5-yl]urea;ethane;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine
SMILESCC.COc1cc(N(Cc2ccc3nc(N)nc(N)c3c2C)C(=O)Oc2ccc(C(=O)O)cc2)cc(OC)c1OC.COc1cc(N(Cc2ccc3nc(N)nc(N)c3c2C)C(=O)Oc2ccc(C(=O)OCc3ccccc3)cc2)cc(OC)c1OC.COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC.O=C(Oc1ccc(C(=O)OCc2ccccc2)cc1)Oc1ccc([N+](=O)[O-])cc1.[H]/N=C(\c1cc(C(C)C)c(O)cc1O)N(C(N)=O)c1ccc2c(ccn2CCC2CCN(C(=O)c3ccc(OC(=O)N(Cc4ccc5nc(N)nc(N)c5c4C)c4cc(OC)c(OC)c(OC)c4)cc3)CC2)c1.[H]/N=C(\c1cc(C(C)C)c(O)cc1O)N(C(N)=O)c1ccc2c(ccn2CCC2CCNCC2)c1
InChIInChI=1S/C53H58N10O9.C34H33N5O7.C27H27N5O7.C26H33N5O3.C21H15NO7.C19H23N5O3.C2H6/c1-29(2)38-26-39(43(65)27-42(38)64)49(55)63(52(57)67)35-10-14-41-33(23-35)18-22-60(41)19-15-31-16-20-61(21-17-31)50(66)32-7-11-37(12-8-32)72-53(68)62(36-24-44(69-4)47(71-6)45(25-36)70-5)28-34-9-13-40-46(30(34)3)48(54)59-51(56)58-40;1-20-23(12-15-26-29(20)31(35)38-33(36)37-26)18-39(24-16-27(42-2)30(44-4)28(17-24)43-3)34(41)46-25-13-10-22(11-14-25)32(40)45-19-21-8-6-5-7-9-21;1-14-16(7-10-19-22(14)24(28)31-26(29)30-19)13-32(17-11-20(36-2)23(38-4)21(12-17)37-3)27(35)39-18-8-5-15(6-9-18)25(33)34;1-16(2)20-14-21(24(33)15-23(20)32)25(27)31(26(28)34)19-3-4-22-18(13-19)8-12-30(22)11-7-17-5-9-29-10-6-17;23-20(27-14-15-4-2-1-3-5-15)16-6-10-18(11-7-16)28-21(24)29-19-12-8-17(9-13-19)22(25)26;1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3;1-2/h7-14,18,22-27,29,31,55,64-65H,15-17,19-21,28H2,1-6H3,(H2,57,67)(H4,54,56,58,59);5-17H,18-19H2,1-4H3,(H4,35,36,37,38);5-12H,13H2,1-4H3,(H,33,34)(H4,28,29,30,31);3-4,8,12-17,27,29,32-33H,5-7,9-11H2,1-2H3,(H2,28,34);1-13H,14H2;5-8,22H,9H2,1-4H3,(H4,20,21,23,24);1-2H3/b55-49+;;;27-25+;;;
InChIKeyZWAFXCGDUCBVJA-WWEQIBHLSA-N
MW3392.74 g/mol
LogP31.17
Rot. Bonds50

About benzyl 4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoate;benzyl 4-(4-nitrophenoxy)carbonyloxybenzoate;[4-[4-[2-[5-[carbamoyl-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]indol-1-yl]ethyl]piperidine-1-carbonyl]phenyl] N-[(2,4-diamino-5-methylquinazolin-6-yl)methyl]-N-(3,4,5-trimethoxyphenyl)carbamate;4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoic acid;1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-(2-piperidin-4-ylethyl)indol-5-yl]urea;ethane;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine

benzyl 4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoate;benzyl 4-(4-nitrophenoxy)carbonyloxybenzoate;[4-[4-[2-[5-[carbamoyl-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]indol-1-yl]ethyl]piperidine-1-carbonyl]phenyl] N-[(2,4-diamino-5-methylquinazolin-6-yl)methyl]-N-(3,4,5-trimethoxyphenyl)carbamate;4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoic acid;1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-(2-piperidin-4-ylethyl)indol-5-yl]urea;ethane;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine (PubChem CID 162235681) has the molecular formula C182H195N31O36 and a molecular weight of 3392.74 g/mol. Its IUPAC name is benzyl 4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoate;benzyl 4-(4-nitrophenoxy)carbonyloxybenzoate;[4-[4-[2-[5-[carbamoyl-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]indol-1-yl]ethyl]piperidine-1-carbonyl]phenyl] N-[(2,4-diamino-5-methylquinazolin-6-yl)methyl]-N-(3,4,5-trimethoxyphenyl)carbamate;4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoic acid;1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-(2-piperidin-4-ylethyl)indol-5-yl]urea;ethane;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Namebenzyl 4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoate;benzyl 4-(4-nitrophenoxy)carbonyloxybenzoate;[4-[4-[2-[5-[carbamoyl-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]indol-1-yl]ethyl]piperidine-1-carbonyl]phenyl] N-[(2,4-diamino-5-methylquinazolin-6-yl)methyl]-N-(3,4,5-trimethoxyphenyl)carbamate;4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoic acid;1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-(2-piperidin-4-ylethyl)indol-5-yl]urea;ethane;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine
PubChem CID162235681
Molecular FormulaC182H195N31O36
Molecular Weight3392.74 g/mol
Exact Mass3390.44
IUPAC Namebenzyl 4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoate;benzyl 4-(4-nitrophenoxy)carbonyloxybenzoate;[4-[4-[2-[5-[carbamoyl-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]indol-1-yl]ethyl]piperidine-1-carbonyl]phenyl] N-[(2,4-diamino-5-methylquinazolin-6-yl)methyl]-N-(3,4,5-trimethoxyphenyl)carbamate;4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoic acid;1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-(2-piperidin-4-ylethyl)indol-5-yl]urea;ethane;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine
SMILESCC.COc1cc(N(Cc2ccc3nc(N)nc(N)c3c2C)C(=O)Oc2ccc(C(=O)O)cc2)cc(OC)c1OC.COc1cc(N(Cc2ccc3nc(N)nc(N)c3c2C)C(=O)Oc2ccc(C(=O)OCc3ccccc3)cc2)cc(OC)c1OC.COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC.O=C(Oc1ccc(C(=O)OCc2ccccc2)cc1)Oc1ccc([N+](=O)[O-])cc1.[H]/N=C(\c1cc(C(C)C)c(O)cc1O)N(C(N)=O)c1ccc2c(ccn2CCC2CCN(C(=O)c3ccc(OC(=O)N(Cc4ccc5nc(N)nc(N)c5c4C)c4cc(OC)c(OC)c(OC)c4)cc3)CC2)c1.[H]/N=C(\c1cc(C(C)C)c(O)cc1O)N(C(N)=O)c1ccc2c(ccn2CCC2CCNCC2)c1
InChIInChI=1S/C53H58N10O9.C34H33N5O7.C27H27N5O7.C26H33N5O3.C21H15NO7.C19H23N5O3.C2H6/c1-29(2)38-26-39(43(65)27-42(38)64)49(55)63(52(57)67)35-10-14-41-33(23-35)18-22-60(41)19-15-31-16-20-61(21-17-31)50(66)32-7-11-37(12-8-32)72-53(68)62(36-24-44(69-4)47(71-6)45(25-36)70-5)28-34-9-13-40-46(30(34)3)48(54)59-51(56)58-40;1-20-23(12-15-26-29(20)31(35)38-33(36)37-26)18-39(24-16-27(42-2)30(44-4)28(17-24)43-3)34(41)46-25-13-10-22(11-14-25)32(40)45-19-21-8-6-5-7-9-21;1-14-16(7-10-19-22(14)24(28)31-26(29)30-19)13-32(17-11-20(36-2)23(38-4)21(12-17)37-3)27(35)39-18-8-5-15(6-9-18)25(33)34;1-16(2)20-14-21(24(33)15-23(20)32)25(27)31(26(28)34)19-3-4-22-18(13-19)8-12-30(22)11-7-17-5-9-29-10-6-17;23-20(27-14-15-4-2-1-3-5-15)16-6-10-18(11-7-16)28-21(24)29-19-12-8-17(9-13-19)22(25)26;1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3;1-2/h7-14,18,22-27,29,31,55,64-65H,15-17,19-21,28H2,1-6H3,(H2,57,67)(H4,54,56,58,59);5-17H,18-19H2,1-4H3,(H4,35,36,37,38);5-12H,13H2,1-4H3,(H,33,34)(H4,28,29,30,31);3-4,8,12-17,27,29,32-33H,5-7,9-11H2,1-2H3,(H2,28,34);1-13H,14H2;5-8,22H,9H2,1-4H3,(H4,20,21,23,24);1-2H3/b55-49+;;;27-25+;;;
InChIKeyZWAFXCGDUCBVJA-WWEQIBHLSA-N
XLogP31.17
TPSA954.74 Ų
H-Bond Donors19
H-Bond Acceptors57
Rotatable Bonds50
Heavy Atoms249
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003392.74
LogP ≤ 531.17
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze benzyl 4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoate;benzyl 4-(4-nitrophenoxy)carbonyloxybenzoate;[4-[4-[2-[5-[carbamoyl-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]indol-1-yl]ethyl]piperidine-1-carbonyl]phenyl] N-[(2,4-diamino-5-methylquinazolin-6-yl)methyl]-N-(3,4,5-trimethoxyphenyl)carbamate;4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoic acid;1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-(2-piperidin-4-ylethyl)indol-5-yl]urea;ethane;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoate;benzyl 4-(4-nitrophenoxy)carbonyloxybenzoate;[4-[4-[2-[5-[carbamoyl-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]indol-1-yl]ethyl]piperidine-1-carbonyl]phenyl] N-[(2,4-diamino-5-methylquinazolin-6-yl)methyl]-N-(3,4,5-trimethoxyphenyl)carbamate;4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoic acid;1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-(2-piperidin-4-ylethyl)indol-5-yl]urea;ethane;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine?
The IUPAC name of benzyl 4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoate;benzyl 4-(4-nitrophenoxy)carbonyloxybenzoate;[4-[4-[2-[5-[carbamoyl-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]indol-1-yl]ethyl]piperidine-1-carbonyl]phenyl] N-[(2,4-diamino-5-methylquinazolin-6-yl)methyl]-N-(3,4,5-trimethoxyphenyl)carbamate;4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoic acid;1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-(2-piperidin-4-ylethyl)indol-5-yl]urea;ethane;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine (CID 162235681) is benzyl 4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoate;benzyl 4-(4-nitrophenoxy)carbonyloxybenzoate;[4-[4-[2-[5-[carbamoyl-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]indol-1-yl]ethyl]piperidine-1-carbonyl]phenyl] N-[(2,4-diamino-5-methylquinazolin-6-yl)methyl]-N-(3,4,5-trimethoxyphenyl)carbamate;4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoic acid;1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-(2-piperidin-4-ylethyl)indol-5-yl]urea;ethane;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine.
What is the SMILES notation for benzyl 4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoate;benzyl 4-(4-nitrophenoxy)carbonyloxybenzoate;[4-[4-[2-[5-[carbamoyl-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]indol-1-yl]ethyl]piperidine-1-carbonyl]phenyl] N-[(2,4-diamino-5-methylquinazolin-6-yl)methyl]-N-(3,4,5-trimethoxyphenyl)carbamate;4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoic acid;1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-(2-piperidin-4-ylethyl)indol-5-yl]urea;ethane;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine?
The canonical SMILES for benzyl 4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoate;benzyl 4-(4-nitrophenoxy)carbonyloxybenzoate;[4-[4-[2-[5-[carbamoyl-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]indol-1-yl]ethyl]piperidine-1-carbonyl]phenyl] N-[(2,4-diamino-5-methylquinazolin-6-yl)methyl]-N-(3,4,5-trimethoxyphenyl)carbamate;4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoic acid;1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-(2-piperidin-4-ylethyl)indol-5-yl]urea;ethane;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine is CC.COc1cc(N(Cc2ccc3nc(N)nc(N)c3c2C)C(=O)Oc2ccc(C(=O)O)cc2)cc(OC)c1OC.COc1cc(N(Cc2ccc3nc(N)nc(N)c3c2C)C(=O)Oc2ccc(C(=O)OCc3ccccc3)cc2)cc(OC)c1OC.COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC.O=C(Oc1ccc(C(=O)OCc2ccccc2)cc1)Oc1ccc([N+](=O)[O-])cc1.[H]/N=C(\c1cc(C(C)C)c(O)cc1O)N(C(N)=O)c1ccc2c(ccn2CCC2CCN(C(=O)c3ccc(OC(=O)N(Cc4ccc5nc(N)nc(N)c5c4C)c4cc(OC)c(OC)c(OC)c4)cc3)CC2)c1.[H]/N=C(\c1cc(C(C)C)c(O)cc1O)N(C(N)=O)c1ccc2c(ccn2CCC2CCNCC2)c1.
What is the InChIKey of benzyl 4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoate;benzyl 4-(4-nitrophenoxy)carbonyloxybenzoate;[4-[4-[2-[5-[carbamoyl-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]indol-1-yl]ethyl]piperidine-1-carbonyl]phenyl] N-[(2,4-diamino-5-methylquinazolin-6-yl)methyl]-N-(3,4,5-trimethoxyphenyl)carbamate;4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoic acid;1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-(2-piperidin-4-ylethyl)indol-5-yl]urea;ethane;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine?
The InChIKey is ZWAFXCGDUCBVJA-WWEQIBHLSA-N. The full InChI is InChI=1S/C53H58N10O9.C34H33N5O7.C27H27N5O7.C26H33N5O3.C21H15NO7.C19H23N5O3.C2H6/c1-29(2)38-26-39(43(65)27-42(38)64)49(55)63(52(57)67)35-10-14-41-33(23-35)18-22-60(41)19-15-31-16-20-61(21-17-31)50(66)32-7-11-37(12-8-32)72-53(68)62(36-24-44(69-4)47(71-6)45(25-36)70-5)28-34-9-13-40-46(30(34)3)48(54)59-51(56)58-40;1-20-23(12-15-26-29(20)31(35)38-33(36)37-26)18-39(24-16-27(42-2)30(44-4)28(17-24)43-3)34(41)46-25-13-10-22(11-14-25)32(40)45-19-21-8-6-5-7-9-21;1-14-16(7-10-19-22(14)24(28)31-26(29)30-19)13-32(17-11-20(36-2)23(38-4)21(12-17)37-3)27(35)39-18-8-5-15(6-9-18)25(33)34;1-16(2)20-14-21(24(33)15-23(20)32)25(27)31(26(28)34)19-3-4-22-18(13-19)8-12-30(22)11-7-17-5-9-29-10-6-17;23-20(27-14-15-4-2-1-3-5-15)16-6-10-18(11-7-16)28-21(24)29-19-12-8-17(9-13-19)22(25)26;1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3;1-2/h7-14,18,22-27,29,31,55,64-65H,15-17,19-21,28H2,1-6H3,(H2,57,67)(H4,54,56,58,59);5-17H,18-19H2,1-4H3,(H4,35,36,37,38);5-12H,13H2,1-4H3,(H,33,34)(H4,28,29,30,31);3-4,8,12-17,27,29,32-33H,5-7,9-11H2,1-2H3,(H2,28,34);1-13H,14H2;5-8,22H,9H2,1-4H3,(H4,20,21,23,24);1-2H3/b55-49+;;;27-25+;;;.
What are the key properties of benzyl 4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoate;benzyl 4-(4-nitrophenoxy)carbonyloxybenzoate;[4-[4-[2-[5-[carbamoyl-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]indol-1-yl]ethyl]piperidine-1-carbonyl]phenyl] N-[(2,4-diamino-5-methylquinazolin-6-yl)methyl]-N-(3,4,5-trimethoxyphenyl)carbamate;4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoic acid;1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-(2-piperidin-4-ylethyl)indol-5-yl]urea;ethane;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine?
benzyl 4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoate;benzyl 4-(4-nitrophenoxy)carbonyloxybenzoate;[4-[4-[2-[5-[carbamoyl-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]indol-1-yl]ethyl]piperidine-1-carbonyl]phenyl] N-[(2,4-diamino-5-methylquinazolin-6-yl)methyl]-N-(3,4,5-trimethoxyphenyl)carbamate;4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoic acid;1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-(2-piperidin-4-ylethyl)indol-5-yl]urea;ethane;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine has a molecular weight of 3392.74 g/mol, XLogP of 31.17, 50 rotatable bonds, 19 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoate;benzyl 4-(4-nitrophenoxy)carbonyloxybenzoate;[4-[4-[2-[5-[carbamoyl-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]indol-1-yl]ethyl]piperidine-1-carbonyl]phenyl] N-[(2,4-diamino-5-methylquinazolin-6-yl)methyl]-N-(3,4,5-trimethoxyphenyl)carbamate;4-[(2,4-diamino-5-methylquinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)carbamoyl]oxybenzoic acid;1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-(2-piperidin-4-ylethyl)indol-5-yl]urea;ethane;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 162235681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).