2-[3,5-bis[4-(cyclohexylamino)quinazolin-2-yl]cyclohexyl]-N-cyclohexylquinazolin-4-amine;[4-[[2-[3,5-bis[4-(4-methoxyanilino)quinazolin-2-yl]phenyl]quinazolin-4-yl]amino]phenyl]methanol;2-[4,6-bis[4-(propylamino)quinazolin-2-yl]-1,3,5-triazin-2-yl]-N-propylquinazolin-4-amine;1,2,3-tris[4-(3-methoxyanilino)quinazolin-2-yl]propan-2-ol

C183H173N39O7 — CID 157351895

IUPAC2-[3,5-bis[4-(cyclohexylamino)quinazolin-2-yl]cyclohexyl]-N-cyclohexylquinazolin-4-amine;[4-[[2-[3,5-bis[4-(4-methoxyanilino)quinazolin-2-yl]phenyl]quinazolin-4-yl]amino]phenyl]methanol;2-[4,6-bis[4-(propylamino)quinazolin-2-yl]-1,3,5-triazin-2-yl]-N-propylquinazolin-4-amine;1,2,3-tris[4-(3-methoxyanilino)quinazolin-2-yl]propan-2-ol
SMILESCCCNc1nc(-c2nc(-c3nc(NCCC)c4ccccc4n3)nc(-c3nc(NCCC)c4ccccc4n3)n2)nc2ccccc12.COc1ccc(Nc2nc(-c3cc(-c4nc(Nc5ccc(CO)cc5)c5ccccc5n4)cc(-c4nc(Nc5ccc(OC)cc5)c5ccccc5n4)c3)nc3ccccc23)cc1.COc1cccc(Nc2nc(CC(O)(Cc3nc(Nc4cccc(OC)c4)c4ccccc4n3)c3nc(Nc4cccc(OC)c4)c4ccccc4n3)nc3ccccc23)c1.c1ccc2c(NC3CCCCC3)nc(C3CC(c4nc(NC5CCCCC5)c5ccccc5n4)CC(c4nc(NC5CCCCC5)c5ccccc5n4)C3)nc2c1
InChIInChI=1S/C51H39N9O3.C48H41N9O4.C48H57N9.C36H36N12/c1-62-38-23-19-36(20-24-38)53-50-41-10-4-7-13-44(41)56-47(59-50)33-27-32(46-55-43-12-6-3-9-40(43)49(58-46)52-35-17-15-31(30-61)16-18-35)28-34(29-33)48-57-45-14-8-5-11-42(45)51(60-48)54-37-21-25-39(63-2)26-22-37;1-59-33-16-10-13-30(25-33)49-44-36-19-4-7-22-39(36)52-42(55-44)28-48(58,47-54-41-24-9-6-21-38(41)46(57-47)51-32-15-12-18-35(27-32)61-3)29-43-53-40-23-8-5-20-37(40)45(56-43)50-31-14-11-17-34(26-31)60-2;1-4-16-34(17-5-1)49-46-37-22-10-13-25-40(37)52-43(55-46)31-28-32(44-53-41-26-14-11-23-38(41)47(56-44)50-35-18-6-2-7-19-35)30-33(29-31)45-54-42-27-15-12-24-39(42)48(57-45)51-36-20-8-3-9-21-36;1-4-19-37-28-22-13-7-10-16-25(22)40-31(43-28)34-46-35(32-41-26-17-11-8-14-23(26)29(44-32)38-20-5-2)48-36(47-34)33-42-27-18-12-9-15-24(27)30(45-33)39-21-6-3/h3-29,61H,30H2,1-2H3,(H,52,55,58)(H,53,56,59)(H,54,57,60);4-27,58H,28-29H2,1-3H3,(H,49,52,55)(H,50,53,56)(H,51,54,57);10-15,22-27,31-36H,1-9,16-21,28-30H2,(H,49,52,55)(H,50,53,56)(H,51,54,57);7-18H,4-6,19-21H2,1-3H3,(H,37,40,43)(H,38,41,44)(H,39,42,45)
InChIKeyBHQBSTTXFDKDCA-UHFFFAOYSA-N
MW3030.66 g/mol
LogP39.46
Rot. Bonds47

About 2-[3,5-bis[4-(cyclohexylamino)quinazolin-2-yl]cyclohexyl]-N-cyclohexylquinazolin-4-amine;[4-[[2-[3,5-bis[4-(4-methoxyanilino)quinazolin-2-yl]phenyl]quinazolin-4-yl]amino]phenyl]methanol;2-[4,6-bis[4-(propylamino)quinazolin-2-yl]-1,3,5-triazin-2-yl]-N-propylquinazolin-4-amine;1,2,3-tris[4-(3-methoxyanilino)quinazolin-2-yl]propan-2-ol

2-[3,5-bis[4-(cyclohexylamino)quinazolin-2-yl]cyclohexyl]-N-cyclohexylquinazolin-4-amine;[4-[[2-[3,5-bis[4-(4-methoxyanilino)quinazolin-2-yl]phenyl]quinazolin-4-yl]amino]phenyl]methanol;2-[4,6-bis[4-(propylamino)quinazolin-2-yl]-1,3,5-triazin-2-yl]-N-propylquinazolin-4-amine;1,2,3-tris[4-(3-methoxyanilino)quinazolin-2-yl]propan-2-ol (PubChem CID 157351895) has the molecular formula C183H173N39O7 and a molecular weight of 3030.66 g/mol. Its IUPAC name is 2-[3,5-bis[4-(cyclohexylamino)quinazolin-2-yl]cyclohexyl]-N-cyclohexylquinazolin-4-amine;[4-[[2-[3,5-bis[4-(4-methoxyanilino)quinazolin-2-yl]phenyl]quinazolin-4-yl]amino]phenyl]methanol;2-[4,6-bis[4-(propylamino)quinazolin-2-yl]-1,3,5-triazin-2-yl]-N-propylquinazolin-4-amine;1,2,3-tris[4-(3-methoxyanilino)quinazolin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3,5-bis[4-(cyclohexylamino)quinazolin-2-yl]cyclohexyl]-N-cyclohexylquinazolin-4-amine;[4-[[2-[3,5-bis[4-(4-methoxyanilino)quinazolin-2-yl]phenyl]quinazolin-4-yl]amino]phenyl]methanol;2-[4,6-bis[4-(propylamino)quinazolin-2-yl]-1,3,5-triazin-2-yl]-N-propylquinazolin-4-amine;1,2,3-tris[4-(3-methoxyanilino)quinazolin-2-yl]propan-2-ol
PubChem CID157351895
Molecular FormulaC183H173N39O7
Molecular Weight3030.66 g/mol
Exact Mass3028.44
IUPAC Name2-[3,5-bis[4-(cyclohexylamino)quinazolin-2-yl]cyclohexyl]-N-cyclohexylquinazolin-4-amine;[4-[[2-[3,5-bis[4-(4-methoxyanilino)quinazolin-2-yl]phenyl]quinazolin-4-yl]amino]phenyl]methanol;2-[4,6-bis[4-(propylamino)quinazolin-2-yl]-1,3,5-triazin-2-yl]-N-propylquinazolin-4-amine;1,2,3-tris[4-(3-methoxyanilino)quinazolin-2-yl]propan-2-ol
SMILESCCCNc1nc(-c2nc(-c3nc(NCCC)c4ccccc4n3)nc(-c3nc(NCCC)c4ccccc4n3)n2)nc2ccccc12.COc1ccc(Nc2nc(-c3cc(-c4nc(Nc5ccc(CO)cc5)c5ccccc5n4)cc(-c4nc(Nc5ccc(OC)cc5)c5ccccc5n4)c3)nc3ccccc23)cc1.COc1cccc(Nc2nc(CC(O)(Cc3nc(Nc4cccc(OC)c4)c4ccccc4n3)c3nc(Nc4cccc(OC)c4)c4ccccc4n3)nc3ccccc23)c1.c1ccc2c(NC3CCCCC3)nc(C3CC(c4nc(NC5CCCCC5)c5ccccc5n4)CC(c4nc(NC5CCCCC5)c5ccccc5n4)C3)nc2c1
InChIInChI=1S/C51H39N9O3.C48H41N9O4.C48H57N9.C36H36N12/c1-62-38-23-19-36(20-24-38)53-50-41-10-4-7-13-44(41)56-47(59-50)33-27-32(46-55-43-12-6-3-9-40(43)49(58-46)52-35-17-15-31(30-61)16-18-35)28-34(29-33)48-57-45-14-8-5-11-42(45)51(60-48)54-37-21-25-39(63-2)26-22-37;1-59-33-16-10-13-30(25-33)49-44-36-19-4-7-22-39(36)52-42(55-44)28-48(58,47-54-41-24-9-6-21-38(41)46(57-47)51-32-15-12-18-35(27-32)61-3)29-43-53-40-23-8-5-20-37(40)45(56-43)50-31-14-11-17-34(26-31)60-2;1-4-16-34(17-5-1)49-46-37-22-10-13-25-40(37)52-43(55-46)31-28-32(44-53-41-26-14-11-23-38(41)47(56-44)50-35-18-6-2-7-19-35)30-33(29-31)45-54-42-27-15-12-24-39(42)48(57-45)51-36-20-8-3-9-21-36;1-4-19-37-28-22-13-7-10-16-25(22)40-31(43-28)34-46-35(32-41-26-17-11-8-14-23(26)29(44-32)38-20-5-2)48-36(47-34)33-42-27-18-12-9-15-24(27)30(45-33)39-21-6-3/h3-29,61H,30H2,1-2H3,(H,52,55,58)(H,53,56,59)(H,54,57,60);4-27,58H,28-29H2,1-3H3,(H,49,52,55)(H,50,53,56)(H,51,54,57);10-15,22-27,31-36H,1-9,16-21,28-30H2,(H,49,52,55)(H,50,53,56)(H,51,54,57);7-18H,4-6,19-21H2,1-3H3,(H,37,40,43)(H,38,41,44)(H,39,42,45)
InChIKeyBHQBSTTXFDKDCA-UHFFFAOYSA-N
XLogP39.46
TPSA579.00 Ų
H-Bond Donors14
H-Bond Acceptors46
Rotatable Bonds47
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003030.66
LogP ≤ 539.46
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1046

Analyze 2-[3,5-bis[4-(cyclohexylamino)quinazolin-2-yl]cyclohexyl]-N-cyclohexylquinazolin-4-amine;[4-[[2-[3,5-bis[4-(4-methoxyanilino)quinazolin-2-yl]phenyl]quinazolin-4-yl]amino]phenyl]methanol;2-[4,6-bis[4-(propylamino)quinazolin-2-yl]-1,3,5-triazin-2-yl]-N-propylquinazolin-4-amine;1,2,3-tris[4-(3-methoxyanilino)quinazolin-2-yl]propan-2-ol with MolForge

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Related Compounds

5-(1-Adamantyloxy)-2-methylquinazolin-4-amine;5-(4-aminophenoxy)-2-methylquinazolin-4-amine;5-cyclohexyloxy-2-methylquinazolin-4-amine;5-ethoxy-2-methylquinazolin-4-amine;2-methyl-5-(2,2,2-trifluoroethoxy)quinazolin-4-amine
CID 159893403
4-{[1-(7-Methoxy-4-methyl-2-quinazolinyl)-4-piperidinyl]amino}-1-adamantanol
CID 45244786
2-[[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]methyl]cyclohexan-1-ol
CID 16735520
(3R,4R)-4-azido-1-[[4-(3-methoxyanilino)quinazolin-6-yl]methyl]piperidin-3-ol
CID 58671532
(3R,4R)-4-amino-1-[[4-(3-methoxyanilino)quinazolin-6-yl]methyl]piperidin-3-ol
CID 58671535
3-[bis[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]methyl]amino]propan-1-ol
CID 59237265
1,3-bis[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]propan-2-ol
CID 59237271
2-[[[5-[2-(2,6-Dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]methyl]cyclohexan-1-ol
CID 68434347
3-[Bis[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methyl]amino]propan-1-ol
CID 68517610
N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-4-methoxyaniline
CID 71098522
6,7-dimethoxy-N-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-4-piperidin-1-ylquinazolin-2-amine;6,7-dimethoxy-4-piperidin-1-yl-N-piperidin-4-ylquinazolin-2-amine
CID 87638079
1-Methyl-3-[2-[4-(4-phenoxyanilino)quinazolin-6-yl]ethynyl]piperidin-3-ol;3-[2-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]ethynyl]piperidin-3-ol
CID 88216928

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[4-(cyclohexylamino)quinazolin-2-yl]cyclohexyl]-N-cyclohexylquinazolin-4-amine;[4-[[2-[3,5-bis[4-(4-methoxyanilino)quinazolin-2-yl]phenyl]quinazolin-4-yl]amino]phenyl]methanol;2-[4,6-bis[4-(propylamino)quinazolin-2-yl]-1,3,5-triazin-2-yl]-N-propylquinazolin-4-amine;1,2,3-tris[4-(3-methoxyanilino)quinazolin-2-yl]propan-2-ol?
The IUPAC name of 2-[3,5-bis[4-(cyclohexylamino)quinazolin-2-yl]cyclohexyl]-N-cyclohexylquinazolin-4-amine;[4-[[2-[3,5-bis[4-(4-methoxyanilino)quinazolin-2-yl]phenyl]quinazolin-4-yl]amino]phenyl]methanol;2-[4,6-bis[4-(propylamino)quinazolin-2-yl]-1,3,5-triazin-2-yl]-N-propylquinazolin-4-amine;1,2,3-tris[4-(3-methoxyanilino)quinazolin-2-yl]propan-2-ol (CID 157351895) is 2-[3,5-bis[4-(cyclohexylamino)quinazolin-2-yl]cyclohexyl]-N-cyclohexylquinazolin-4-amine;[4-[[2-[3,5-bis[4-(4-methoxyanilino)quinazolin-2-yl]phenyl]quinazolin-4-yl]amino]phenyl]methanol;2-[4,6-bis[4-(propylamino)quinazolin-2-yl]-1,3,5-triazin-2-yl]-N-propylquinazolin-4-amine;1,2,3-tris[4-(3-methoxyanilino)quinazolin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[3,5-bis[4-(cyclohexylamino)quinazolin-2-yl]cyclohexyl]-N-cyclohexylquinazolin-4-amine;[4-[[2-[3,5-bis[4-(4-methoxyanilino)quinazolin-2-yl]phenyl]quinazolin-4-yl]amino]phenyl]methanol;2-[4,6-bis[4-(propylamino)quinazolin-2-yl]-1,3,5-triazin-2-yl]-N-propylquinazolin-4-amine;1,2,3-tris[4-(3-methoxyanilino)quinazolin-2-yl]propan-2-ol?
The canonical SMILES for 2-[3,5-bis[4-(cyclohexylamino)quinazolin-2-yl]cyclohexyl]-N-cyclohexylquinazolin-4-amine;[4-[[2-[3,5-bis[4-(4-methoxyanilino)quinazolin-2-yl]phenyl]quinazolin-4-yl]amino]phenyl]methanol;2-[4,6-bis[4-(propylamino)quinazolin-2-yl]-1,3,5-triazin-2-yl]-N-propylquinazolin-4-amine;1,2,3-tris[4-(3-methoxyanilino)quinazolin-2-yl]propan-2-ol is CCCNc1nc(-c2nc(-c3nc(NCCC)c4ccccc4n3)nc(-c3nc(NCCC)c4ccccc4n3)n2)nc2ccccc12.COc1ccc(Nc2nc(-c3cc(-c4nc(Nc5ccc(CO)cc5)c5ccccc5n4)cc(-c4nc(Nc5ccc(OC)cc5)c5ccccc5n4)c3)nc3ccccc23)cc1.COc1cccc(Nc2nc(CC(O)(Cc3nc(Nc4cccc(OC)c4)c4ccccc4n3)c3nc(Nc4cccc(OC)c4)c4ccccc4n3)nc3ccccc23)c1.c1ccc2c(NC3CCCCC3)nc(C3CC(c4nc(NC5CCCCC5)c5ccccc5n4)CC(c4nc(NC5CCCCC5)c5ccccc5n4)C3)nc2c1.
What is the InChIKey of 2-[3,5-bis[4-(cyclohexylamino)quinazolin-2-yl]cyclohexyl]-N-cyclohexylquinazolin-4-amine;[4-[[2-[3,5-bis[4-(4-methoxyanilino)quinazolin-2-yl]phenyl]quinazolin-4-yl]amino]phenyl]methanol;2-[4,6-bis[4-(propylamino)quinazolin-2-yl]-1,3,5-triazin-2-yl]-N-propylquinazolin-4-amine;1,2,3-tris[4-(3-methoxyanilino)quinazolin-2-yl]propan-2-ol?
The InChIKey is BHQBSTTXFDKDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39N9O3.C48H41N9O4.C48H57N9.C36H36N12/c1-62-38-23-19-36(20-24-38)53-50-41-10-4-7-13-44(41)56-47(59-50)33-27-32(46-55-43-12-6-3-9-40(43)49(58-46)52-35-17-15-31(30-61)16-18-35)28-34(29-33)48-57-45-14-8-5-11-42(45)51(60-48)54-37-21-25-39(63-2)26-22-37;1-59-33-16-10-13-30(25-33)49-44-36-19-4-7-22-39(36)52-42(55-44)28-48(58,47-54-41-24-9-6-21-38(41)46(57-47)51-32-15-12-18-35(27-32)61-3)29-43-53-40-23-8-5-20-37(40)45(56-43)50-31-14-11-17-34(26-31)60-2;1-4-16-34(17-5-1)49-46-37-22-10-13-25-40(37)52-43(55-46)31-28-32(44-53-41-26-14-11-23-38(41)47(56-44)50-35-18-6-2-7-19-35)30-33(29-31)45-54-42-27-15-12-24-39(42)48(57-45)51-36-20-8-3-9-21-36;1-4-19-37-28-22-13-7-10-16-25(22)40-31(43-28)34-46-35(32-41-26-17-11-8-14-23(26)29(44-32)38-20-5-2)48-36(47-34)33-42-27-18-12-9-15-24(27)30(45-33)39-21-6-3/h3-29,61H,30H2,1-2H3,(H,52,55,58)(H,53,56,59)(H,54,57,60);4-27,58H,28-29H2,1-3H3,(H,49,52,55)(H,50,53,56)(H,51,54,57);10-15,22-27,31-36H,1-9,16-21,28-30H2,(H,49,52,55)(H,50,53,56)(H,51,54,57);7-18H,4-6,19-21H2,1-3H3,(H,37,40,43)(H,38,41,44)(H,39,42,45).
What are the key properties of 2-[3,5-bis[4-(cyclohexylamino)quinazolin-2-yl]cyclohexyl]-N-cyclohexylquinazolin-4-amine;[4-[[2-[3,5-bis[4-(4-methoxyanilino)quinazolin-2-yl]phenyl]quinazolin-4-yl]amino]phenyl]methanol;2-[4,6-bis[4-(propylamino)quinazolin-2-yl]-1,3,5-triazin-2-yl]-N-propylquinazolin-4-amine;1,2,3-tris[4-(3-methoxyanilino)quinazolin-2-yl]propan-2-ol?
2-[3,5-bis[4-(cyclohexylamino)quinazolin-2-yl]cyclohexyl]-N-cyclohexylquinazolin-4-amine;[4-[[2-[3,5-bis[4-(4-methoxyanilino)quinazolin-2-yl]phenyl]quinazolin-4-yl]amino]phenyl]methanol;2-[4,6-bis[4-(propylamino)quinazolin-2-yl]-1,3,5-triazin-2-yl]-N-propylquinazolin-4-amine;1,2,3-tris[4-(3-methoxyanilino)quinazolin-2-yl]propan-2-ol has a molecular weight of 3030.66 g/mol, XLogP of 39.46, 47 rotatable bonds, 14 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[4-(cyclohexylamino)quinazolin-2-yl]cyclohexyl]-N-cyclohexylquinazolin-4-amine;[4-[[2-[3,5-bis[4-(4-methoxyanilino)quinazolin-2-yl]phenyl]quinazolin-4-yl]amino]phenyl]methanol;2-[4,6-bis[4-(propylamino)quinazolin-2-yl]-1,3,5-triazin-2-yl]-N-propylquinazolin-4-amine;1,2,3-tris[4-(3-methoxyanilino)quinazolin-2-yl]propan-2-ol is sourced from PubChem (CID 157351895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).