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

C19H18N4O — CID 40810173

IUPAC(2S)-1-(2-phenylquinazolin-4-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1c1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C19H18N4O/c20-17(24)16-11-6-12-23(16)19-14-9-4-5-10-15(14)21-18(22-19)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2,(H2,20,24)/t16-/m0/s1
InChIKeyROABPZZTSYDGHR-INIZCTEOSA-N
MW318.38 g/mol
LogP2.75
Rot. Bonds3

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

(2S)-1-(2-phenylquinazolin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 40810173) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is (2S)-1-(2-phenylquinazolin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-phenylquinazolin-4-yl)pyrrolidine-2-carboxamide
PubChem CID40810173
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name(2S)-1-(2-phenylquinazolin-4-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1c1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C19H18N4O/c20-17(24)16-11-6-12-23(16)19-14-9-4-5-10-15(14)21-18(22-19)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2,(H2,20,24)/t16-/m0/s1
InChIKeyROABPZZTSYDGHR-INIZCTEOSA-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

1-(2-aminoquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 80765389
(2R)-1-(2-thiophen-2-ylquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 2573801
(2S)-1-(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;sulfane
CID 158883891
2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 17437782
(3R)-2-(2-phenylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 40799745
1-(5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide
CID 72510858
(2R)-1-(4-phenylquinazolin-2-yl)pyrrolidine-2-carboxamide
CID 34039994
methane;(2R)-1-(6-phenyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 159135141
2-[[4-(2-carbamoylpyrrolidin-1-yl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]methoxy]acetic acid;sulfane
CID 161407686
methyl 2-[[4-(2-carbamoylpyrrolidin-1-yl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]methoxy]acetate;sulfane
CID 162051298
2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide
CID 133355934
(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 58067491

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-phenylquinazolin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(2-phenylquinazolin-4-yl)pyrrolidine-2-carboxamide (CID 40810173) is (2S)-1-(2-phenylquinazolin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-phenylquinazolin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-phenylquinazolin-4-yl)pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1c1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of (2S)-1-(2-phenylquinazolin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is ROABPZZTSYDGHR-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18N4O/c20-17(24)16-11-6-12-23(16)19-14-9-4-5-10-15(14)21-18(22-19)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2,(H2,20,24)/t16-/m0/s1.
What are the key properties of (2S)-1-(2-phenylquinazolin-4-yl)pyrrolidine-2-carboxamide?
(2S)-1-(2-phenylquinazolin-4-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 (2S)-1-(2-phenylquinazolin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 40810173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).