(2R)-N-ethyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide

C21H23N5O2 — CID 143796156

IUPAC(2R)-N-ethyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@H]1CC(Nc2nc(-c3ccccc3O)nc3ccccc23)CN1
InChIInChI=1S/C21H23N5O2/c1-2-22-21(28)17-11-13(12-23-17)24-19-14-7-3-5-9-16(14)25-20(26-19)15-8-4-6-10-18(15)27/h3-10,13,17,23,27H,2,11-12H2,1H3,(H,22,28)(H,24,25,26)/t13?,17-/m1/s1
InChIKeyZFUYCJDUNWECDW-LRHAYUFXSA-N
MW377.45 g/mol
LogP2.28
Rot. Bonds5

About (2R)-N-ethyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide

(2R)-N-ethyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide (PubChem CID 143796156) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is (2R)-N-ethyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-ethyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide
PubChem CID143796156
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name(2R)-N-ethyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@H]1CC(Nc2nc(-c3ccccc3O)nc3ccccc23)CN1
InChIInChI=1S/C21H23N5O2/c1-2-22-21(28)17-11-13(12-23-17)24-19-14-7-3-5-9-16(14)25-20(26-19)15-8-4-6-10-18(15)27/h3-10,13,17,23,27H,2,11-12H2,1H3,(H,22,28)(H,24,25,26)/t13?,17-/m1/s1
InChIKeyZFUYCJDUNWECDW-LRHAYUFXSA-N
XLogP2.28
TPSA99.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-ethyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide (CID 143796156) is (2R)-N-ethyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-ethyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-ethyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide is CCNC(=O)[C@H]1CC(Nc2nc(-c3ccccc3O)nc3ccccc23)CN1.
What is the InChIKey of (2R)-N-ethyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide?
The InChIKey is ZFUYCJDUNWECDW-LRHAYUFXSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-2-22-21(28)17-11-13(12-23-17)24-19-14-7-3-5-9-16(14)25-20(26-19)15-8-4-6-10-18(15)27/h3-10,13,17,23,27H,2,11-12H2,1H3,(H,22,28)(H,24,25,26)/t13?,17-/m1/s1.
What are the key properties of (2R)-N-ethyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide?
(2R)-N-ethyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.28, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide is sourced from PubChem (CID 143796156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).