(2R)-1-(4-phenylquinazolin-2-yl)pyrrolidine-2-carboxamide

C19H18N4O — CID 34039994

IUPAC(2R)-1-(4-phenylquinazolin-2-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1c1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C19H18N4O/c20-18(24)16-11-6-12-23(16)19-21-15-10-5-4-9-14(15)17(22-19)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2,(H2,20,24)/t16-/m1/s1
InChIKeyCBXCKUJPALZRCG-MRXNPFEDSA-N
MW318.38 g/mol
LogP2.75
Rot. Bonds3

About (2R)-1-(4-phenylquinazolin-2-yl)pyrrolidine-2-carboxamide

(2R)-1-(4-phenylquinazolin-2-yl)pyrrolidine-2-carboxamide (PubChem CID 34039994) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is (2R)-1-(4-phenylquinazolin-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(4-phenylquinazolin-2-yl)pyrrolidine-2-carboxamide
PubChem CID34039994
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name(2R)-1-(4-phenylquinazolin-2-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1c1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C19H18N4O/c20-18(24)16-11-6-12-23(16)19-21-15-10-5-4-9-14(15)17(22-19)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2,(H2,20,24)/t16-/m1/s1
InChIKeyCBXCKUJPALZRCG-MRXNPFEDSA-N
XLogP2.75
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(2-phenylquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 40810173
1-(2-aminoquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 80765389
1-(6-nitro-4-phenylquinazolin-2-yl)pyrrolidine-2-carboxylate
CID 4755551
[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 27816575
ethyl 1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-2-carboxylate
CID 4552361
N,N-dimethyl-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide
CID 45209149
(2R)-1-(2-thiophen-2-ylquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 2573801
N-[[1-(4-phenylquinazolin-2-yl)piperidin-3-yl]methyl]acetamide
CID 133274920
(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 58067491
1-[4-(benzylamino)quinazolin-2-yl]pyrrolidine-2-carboxylic acid
CID 68723847
1-(4-carbamoylquinolin-2-yl)pyrrolidine-2-carboxylic acid
CID 63885030
1-(5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide
CID 72510858

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-phenylquinazolin-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(4-phenylquinazolin-2-yl)pyrrolidine-2-carboxamide (CID 34039994) is (2R)-1-(4-phenylquinazolin-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(4-phenylquinazolin-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(4-phenylquinazolin-2-yl)pyrrolidine-2-carboxamide is NC(=O)[C@H]1CCCN1c1nc(-c2ccccc2)c2ccccc2n1.
What is the InChIKey of (2R)-1-(4-phenylquinazolin-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is CBXCKUJPALZRCG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18N4O/c20-18(24)16-11-6-12-23(16)19-21-15-10-5-4-9-14(15)17(22-19)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2,(H2,20,24)/t16-/m1/s1.
What are the key properties of (2R)-1-(4-phenylquinazolin-2-yl)pyrrolidine-2-carboxamide?
(2R)-1-(4-phenylquinazolin-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-phenylquinazolin-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 34039994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).