(2R,4S)-N-benzyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide;2-[4-[[(3S,5R)-5-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;2-[4-[[(3S,5R)-5-[1-(methylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;4-methyl-2-[4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol

C88H93N19O5 — CID 160595573

IUPAC(2R,4S)-N-benzyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide;2-[4-[[(3S,5R)-5-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;2-[4-[[(3S,5R)-5-[1-(methylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;4-methyl-2-[4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol
SMILESC=C(NC)[C@H]1C[C@H](Nc2nc(-c3ccccc3O)nc3ccccc23)CN1.C=C([C@H]1C[C@H](Nc2nc(-c3ccccc3O)nc3ccccc23)CN1)N(C)C.Cc1ccc(O)c(-c2nc(N[C@H]3CCNC3)c3ccccc3n2)c1.O=C(NCc1ccccc1)[C@H]1C[C@H](Nc2nc(-c3ccccc3O)nc3ccccc23)CN1
InChIInChI=1S/C26H25N5O2.C22H25N5O.C21H23N5O.C19H20N4O/c32-23-13-7-5-11-20(23)25-30-21-12-6-4-10-19(21)24(31-25)29-18-14-22(27-16-18)26(33)28-15-17-8-2-1-3-9-17;1-14(27(2)3)19-12-15(13-23-19)24-21-16-8-4-6-10-18(16)25-22(26-21)17-9-5-7-11-20(17)28;1-13(22-2)18-11-14(12-23-18)24-20-15-7-3-5-9-17(15)25-21(26-20)16-8-4-6-10-19(16)27;1-12-6-7-17(24)15(10-12)19-22-16-5-3-2-4-14(16)18(23-19)21-13-8-9-20-11-13/h1-13,18,22,27,32H,14-16H2,(H,28,33)(H,29,30,31);4-11,15,19,23,28H,1,12-13H2,2-3H3,(H,24,25,26);3-10,14,18,22-23,27H,1,11-12H2,2H3,(H,24,25,26);2-7,10,13,20,24H,8-9,11H2,1H3,(H,21,22,23)/t18-,22+;15-,19+;14-,18+;13-/m0000/s1
InChIKeyRDOUXKNTLXXWQN-KDTFQYMLSA-N
MW1496.84 g/mol
LogP12.64
Rot. Bonds19

About (2R,4S)-N-benzyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide;2-[4-[[(3S,5R)-5-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;2-[4-[[(3S,5R)-5-[1-(methylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;4-methyl-2-[4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol

(2R,4S)-N-benzyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide;2-[4-[[(3S,5R)-5-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;2-[4-[[(3S,5R)-5-[1-(methylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;4-methyl-2-[4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol (PubChem CID 160595573) has the molecular formula C88H93N19O5 and a molecular weight of 1496.84 g/mol. Its IUPAC name is (2R,4S)-N-benzyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide;2-[4-[[(3S,5R)-5-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;2-[4-[[(3S,5R)-5-[1-(methylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;4-methyl-2-[4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol.

Molecular Properties

Compound Name(2R,4S)-N-benzyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide;2-[4-[[(3S,5R)-5-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;2-[4-[[(3S,5R)-5-[1-(methylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;4-methyl-2-[4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol
PubChem CID160595573
Molecular FormulaC88H93N19O5
Molecular Weight1496.84 g/mol
Exact Mass1495.76
IUPAC Name(2R,4S)-N-benzyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide;2-[4-[[(3S,5R)-5-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;2-[4-[[(3S,5R)-5-[1-(methylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;4-methyl-2-[4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol
SMILESC=C(NC)[C@H]1C[C@H](Nc2nc(-c3ccccc3O)nc3ccccc23)CN1.C=C([C@H]1C[C@H](Nc2nc(-c3ccccc3O)nc3ccccc23)CN1)N(C)C.Cc1ccc(O)c(-c2nc(N[C@H]3CCNC3)c3ccccc3n2)c1.O=C(NCc1ccccc1)[C@H]1C[C@H](Nc2nc(-c3ccccc3O)nc3ccccc23)CN1
InChIInChI=1S/C26H25N5O2.C22H25N5O.C21H23N5O.C19H20N4O/c32-23-13-7-5-11-20(23)25-30-21-12-6-4-10-19(21)24(31-25)29-18-14-22(27-16-18)26(33)28-15-17-8-2-1-3-9-17;1-14(27(2)3)19-12-15(13-23-19)24-21-16-8-4-6-10-18(16)25-22(26-21)17-9-5-7-11-20(17)28;1-13(22-2)18-11-14(12-23-18)24-20-15-7-3-5-9-17(15)25-21(26-20)16-8-4-6-10-19(16)27;1-12-6-7-17(24)15(10-12)19-22-16-5-3-2-4-14(16)18(23-19)21-13-8-9-20-11-13/h1-13,18,22,27,32H,14-16H2,(H,28,33)(H,29,30,31);4-11,15,19,23,28H,1,12-13H2,2-3H3,(H,24,25,26);3-10,14,18,22-23,27H,1,11-12H2,2H3,(H,24,25,26);2-7,10,13,20,24H,8-9,11H2,1H3,(H,21,22,23)/t18-,22+;15-,19+;14-,18+;13-/m0000/s1
InChIKeyRDOUXKNTLXXWQN-KDTFQYMLSA-N
XLogP12.64
TPSA324.65 Ų
H-Bond Donors14
H-Bond Acceptors23
Rotatable Bonds19
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001496.84
LogP ≤ 512.64
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1023

Analyze (2R,4S)-N-benzyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide;2-[4-[[(3S,5R)-5-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;2-[4-[[(3S,5R)-5-[1-(methylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;4-methyl-2-[4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol with MolForge

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Related Compounds

(2r,4s)-4-(2-(2-Hydroxyphenyl)quinazolin-4-ylamino)-n,n-dimethylpyrrolidine-2-carboxamide
CID 135921380
2-[4-[(3R)-3-aminopyrrolidin-1-yl]-7-methylquinazolin-2-yl]phenol;N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-3-(trifluoromethyl)benzamide
CID 157399113
2-[4-[(3R)-3-aminopyrrolidin-1-yl]-7-methylquinazolin-2-yl]phenol;4-fluoro-N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-3-(trifluoromethyl)benzamide
CID 158016812
2-[4-(4-aminopiperidin-1-yl)quinazolin-2-yl]phenol;3,3,3-trifluoro-2-hydroxy-N-[1-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperidin-4-yl]-2-methylpropanamide
CID 160671734
2-(4-Piperazin-1-ylquinazolin-2-yl)phenol;3,3,3-trifluoro-2-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 162177647
4-[3-[3-(2,6-Dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propyl]-2,6-dimethylphenol
CID 88601398
(2R,4S)-N-benzyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide
CID 135921392
(2R,4S)-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]-N-methylpyrrolidine-2-carboxamide
CID 135921393
[(2R,4S)-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 135921395
[(2R,4S)-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 135921396
[(2R,4S)-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 135921397
[(2R,4S)-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 135921410

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-benzyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide;2-[4-[[(3S,5R)-5-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;2-[4-[[(3S,5R)-5-[1-(methylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;4-methyl-2-[4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol?
The IUPAC name of (2R,4S)-N-benzyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide;2-[4-[[(3S,5R)-5-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;2-[4-[[(3S,5R)-5-[1-(methylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;4-methyl-2-[4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol (CID 160595573) is (2R,4S)-N-benzyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide;2-[4-[[(3S,5R)-5-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;2-[4-[[(3S,5R)-5-[1-(methylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;4-methyl-2-[4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol.
What is the SMILES notation for (2R,4S)-N-benzyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide;2-[4-[[(3S,5R)-5-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;2-[4-[[(3S,5R)-5-[1-(methylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;4-methyl-2-[4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol?
The canonical SMILES for (2R,4S)-N-benzyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide;2-[4-[[(3S,5R)-5-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;2-[4-[[(3S,5R)-5-[1-(methylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;4-methyl-2-[4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol is C=C(NC)[C@H]1C[C@H](Nc2nc(-c3ccccc3O)nc3ccccc23)CN1.C=C([C@H]1C[C@H](Nc2nc(-c3ccccc3O)nc3ccccc23)CN1)N(C)C.Cc1ccc(O)c(-c2nc(N[C@H]3CCNC3)c3ccccc3n2)c1.O=C(NCc1ccccc1)[C@H]1C[C@H](Nc2nc(-c3ccccc3O)nc3ccccc23)CN1.
What is the InChIKey of (2R,4S)-N-benzyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide;2-[4-[[(3S,5R)-5-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;2-[4-[[(3S,5R)-5-[1-(methylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;4-methyl-2-[4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol?
The InChIKey is RDOUXKNTLXXWQN-KDTFQYMLSA-N. The full InChI is InChI=1S/C26H25N5O2.C22H25N5O.C21H23N5O.C19H20N4O/c32-23-13-7-5-11-20(23)25-30-21-12-6-4-10-19(21)24(31-25)29-18-14-22(27-16-18)26(33)28-15-17-8-2-1-3-9-17;1-14(27(2)3)19-12-15(13-23-19)24-21-16-8-4-6-10-18(16)25-22(26-21)17-9-5-7-11-20(17)28;1-13(22-2)18-11-14(12-23-18)24-20-15-7-3-5-9-17(15)25-21(26-20)16-8-4-6-10-19(16)27;1-12-6-7-17(24)15(10-12)19-22-16-5-3-2-4-14(16)18(23-19)21-13-8-9-20-11-13/h1-13,18,22,27,32H,14-16H2,(H,28,33)(H,29,30,31);4-11,15,19,23,28H,1,12-13H2,2-3H3,(H,24,25,26);3-10,14,18,22-23,27H,1,11-12H2,2H3,(H,24,25,26);2-7,10,13,20,24H,8-9,11H2,1H3,(H,21,22,23)/t18-,22+;15-,19+;14-,18+;13-/m0000/s1.
What are the key properties of (2R,4S)-N-benzyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide;2-[4-[[(3S,5R)-5-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;2-[4-[[(3S,5R)-5-[1-(methylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;4-methyl-2-[4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol?
(2R,4S)-N-benzyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide;2-[4-[[(3S,5R)-5-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;2-[4-[[(3S,5R)-5-[1-(methylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;4-methyl-2-[4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol has a molecular weight of 1496.84 g/mol, XLogP of 12.64, 19 rotatable bonds, 14 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-benzyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide;2-[4-[[(3S,5R)-5-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;2-[4-[[(3S,5R)-5-[1-(methylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;4-methyl-2-[4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol is sourced from PubChem (CID 160595573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).