(2R,4S)-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]-N,N-dimethylpyrrolidine-2-carboxamide

C21H23N5O2 — CID 135921380

IUPAC(2R,4S)-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@H]1C[C@H](Nc2nc(-c3ccccc3O)nc3ccccc23)CN1
InChIInChI=1S/C21H23N5O2/c1-26(2)21(28)17-11-13(12-22-17)23-19-14-7-3-5-9-16(14)24-20(25-19)15-8-4-6-10-18(15)27/h3-10,13,17,22,27H,11-12H2,1-2H3,(H,23,24,25)/t13-,17+/m0/s1
InChIKeyUQMQLMUUUGBCKS-SUMWQHHRSA-N
MW377.45 g/mol
LogP2.23
Rot. Bonds4

About (2R,4S)-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]-N,N-dimethylpyrrolidine-2-carboxamide

(2R,4S)-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 135921380) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is (2R,4S)-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID135921380
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name(2R,4S)-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@H]1C[C@H](Nc2nc(-c3ccccc3O)nc3ccccc23)CN1
InChIInChI=1S/C21H23N5O2/c1-26(2)21(28)17-11-13(12-22-17)23-19-14-7-3-5-9-16(14)24-20(25-19)15-8-4-6-10-18(15)27/h3-10,13,17,22,27H,11-12H2,1-2H3,(H,23,24,25)/t13-,17+/m0/s1
InChIKeyUQMQLMUUUGBCKS-SUMWQHHRSA-N
XLogP2.23
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,4S)-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]-N,N-dimethylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]-N,N-dimethylpyrrolidine-2-carboxamide (CID 135921380) is (2R,4S)-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)[C@H]1C[C@H](Nc2nc(-c3ccccc3O)nc3ccccc23)CN1.
What is the InChIKey of (2R,4S)-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is UQMQLMUUUGBCKS-SUMWQHHRSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-26(2)21(28)17-11-13(12-22-17)23-19-14-7-3-5-9-16(14)24-20(25-19)15-8-4-6-10-18(15)27/h3-10,13,17,22,27H,11-12H2,1-2H3,(H,23,24,25)/t13-,17+/m0/s1.
What are the key properties of (2R,4S)-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]-N,N-dimethylpyrrolidine-2-carboxamide?
(2R,4S)-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 135921380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).