2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one

C15H18N4O2 — CID 137264057

IUPAC2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one
SMILESO=C(CCNc1nc2ccccc2c(=O)[nH]1)N1CCCC1
InChIInChI=1S/C15H18N4O2/c20-13(19-9-3-4-10-19)7-8-16-15-17-12-6-2-1-5-11(12)14(21)18-15/h1-2,5-6H,3-4,7-10H2,(H2,16,17,18,21)
InChIKeyYFQOAOBHKOKAIG-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.35
Rot. Bonds4

About 2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one

2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one (PubChem CID 137264057) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one
PubChem CID137264057
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one
SMILESO=C(CCNc1nc2ccccc2c(=O)[nH]1)N1CCCC1
InChIInChI=1S/C15H18N4O2/c20-13(19-9-3-4-10-19)7-8-16-15-17-12-6-2-1-5-11(12)14(21)18-15/h1-2,5-6H,3-4,7-10H2,(H2,16,17,18,21)
InChIKeyYFQOAOBHKOKAIG-UHFFFAOYSA-N
XLogP1.35
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]-3H-quinazolin-4-one
CID 137271068
2-(propylamino)-3H-quinazolin-4-one
CID 135439661
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3H-quinazolin-4-one
CID 135415502
2-(2-morpholin-4-ylethylamino)-3H-quinazolin-4-one
CID 136779605
1-pyrrolidin-1-yl-3-(quinazolin-4-ylamino)propan-1-one
CID 47121012
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 103295107
2-[(3-hydroxy-3-phenylbutyl)amino]-3H-quinazolin-4-one
CID 137267444
2-[[2-(azepan-1-ylmethyl)phenyl]methylamino]-3H-quinazolin-4-one
CID 137251073
2-[3-(2-hydroxycyclohexyl)propylamino]-3H-quinazolin-4-one
CID 137265029
2-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]-3H-quinazolin-4-one
CID 137264176
(2-oxo-2-piperidin-1-ylethyl) 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135464919
N,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide
CID 137264056

Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one?
The IUPAC name of 2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one (CID 137264057) is 2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one is O=C(CCNc1nc2ccccc2c(=O)[nH]1)N1CCCC1.
What is the InChIKey of 2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one?
The InChIKey is YFQOAOBHKOKAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-13(19-9-3-4-10-19)7-8-16-15-17-12-6-2-1-5-11(12)14(21)18-15/h1-2,5-6H,3-4,7-10H2,(H2,16,17,18,21).
What are the key properties of 2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one?
2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one has a molecular weight of 286.33 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one is sourced from PubChem (CID 137264057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).