[(3S)-3-[(2-phenylquinazolin-4-yl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone

C24H21N5O — CID 97016537

IUPAC[(3S)-3-[(2-phenylquinazolin-4-yl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CC[C@H](Nc2nc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C24H21N5O/c30-24(21-12-6-7-14-25-21)29-15-13-18(16-29)26-23-19-10-4-5-11-20(19)27-22(28-23)17-8-2-1-3-9-17/h1-12,14,18H,13,15-16H2,(H,26,27,28)/t18-/m0/s1
InChIKeyJZUOXJYGHOVSHC-SFHVURJKSA-N
MW395.47 g/mol
LogP4.02
Rot. Bonds4

About [(3S)-3-[(2-phenylquinazolin-4-yl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone

[(3S)-3-[(2-phenylquinazolin-4-yl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 97016537) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is [(3S)-3-[(2-phenylquinazolin-4-yl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[(2-phenylquinazolin-4-yl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
PubChem CID97016537
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name[(3S)-3-[(2-phenylquinazolin-4-yl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CC[C@H](Nc2nc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C24H21N5O/c30-24(21-12-6-7-14-25-21)29-15-13-18(16-29)26-23-19-10-4-5-11-20(19)27-22(28-23)17-8-2-1-3-9-17/h1-12,14,18H,13,15-16H2,(H,26,27,28)/t18-/m0/s1
InChIKeyJZUOXJYGHOVSHC-SFHVURJKSA-N
XLogP4.02
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-[(2-phenylquinazolin-4-yl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone with MolForge

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Related Compounds

pyridin-2-yl-[3-(quinolin-2-ylamino)pyrrolidin-1-yl]methanone
CID 133404500
[3-[(3-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133404509
tert-butyl 4-[(2-pyridin-4-ylquinazolin-4-yl)amino]piperidine-1-carboxylate
CID 58919641
N-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridin-4-ylquinazolin-4-amine
CID 71884718
[3-[(4-methyl-3-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133367516
5-fluoro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]benzonitrile
CID 133404555
6-nitro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]quinoline-4-carbonitrile
CID 133404584
3-chloro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]benzonitrile
CID 75433556
[3-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133404612
[(3R,4R)-3-hydroxy-4-[(4-methylphthalazin-1-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone
CID 118780699
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(2-phenylquinazolin-4-yl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(3S)-3-[(2-phenylquinazolin-4-yl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone (CID 97016537) is [(3S)-3-[(2-phenylquinazolin-4-yl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(3S)-3-[(2-phenylquinazolin-4-yl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(3S)-3-[(2-phenylquinazolin-4-yl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CC[C@H](Nc2nc(-c3ccccc3)nc3ccccc23)C1.
What is the InChIKey of [(3S)-3-[(2-phenylquinazolin-4-yl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is JZUOXJYGHOVSHC-SFHVURJKSA-N. The full InChI is InChI=1S/C24H21N5O/c30-24(21-12-6-7-14-25-21)29-15-13-18(16-29)26-23-19-10-4-5-11-20(19)27-22(28-23)17-8-2-1-3-9-17/h1-12,14,18H,13,15-16H2,(H,26,27,28)/t18-/m0/s1.
What are the key properties of [(3S)-3-[(2-phenylquinazolin-4-yl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
[(3S)-3-[(2-phenylquinazolin-4-yl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 395.47 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(2-phenylquinazolin-4-yl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 97016537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).