2-[(1-propanoylpyrrolidin-3-yl)amino]-3H-quinazolin-4-one

C15H18N4O2 — CID 137270751

IUPAC2-[(1-propanoylpyrrolidin-3-yl)amino]-3H-quinazolin-4-one
SMILESCCC(=O)N1CCC(Nc2nc3ccccc3c(=O)[nH]2)C1
InChIInChI=1S/C15H18N4O2/c1-2-13(20)19-8-7-10(9-19)16-15-17-12-6-4-3-5-11(12)14(21)18-15/h3-6,10H,2,7-9H2,1H3,(H2,16,17,18,21)
InChIKeyDXJOZUWIHGHZSN-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.35
Rot. Bonds3

About 2-[(1-propanoylpyrrolidin-3-yl)amino]-3H-quinazolin-4-one

2-[(1-propanoylpyrrolidin-3-yl)amino]-3H-quinazolin-4-one (PubChem CID 137270751) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[(1-propanoylpyrrolidin-3-yl)amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(1-propanoylpyrrolidin-3-yl)amino]-3H-quinazolin-4-one
PubChem CID137270751
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-[(1-propanoylpyrrolidin-3-yl)amino]-3H-quinazolin-4-one
SMILESCCC(=O)N1CCC(Nc2nc3ccccc3c(=O)[nH]2)C1
InChIInChI=1S/C15H18N4O2/c1-2-13(20)19-8-7-10(9-19)16-15-17-12-6-4-3-5-11(12)14(21)18-15/h3-6,10H,2,7-9H2,1H3,(H2,16,17,18,21)
InChIKeyDXJOZUWIHGHZSN-UHFFFAOYSA-N
XLogP1.35
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

1-[3-[[2-(difluoromethyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 133366706
2-[[1-(2-methylsulfonylethyl)piperidin-4-yl]amino]-3H-quinazolin-4-one
CID 137268392
2-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]-3H-quinazolin-4-one
CID 137264491
2-[ethyl-[3-[(4-oxo-3H-quinazolin-2-yl)amino]cyclobutyl]amino]acetic acid
CID 137061337
trans-(1R,3R)-3-[(4-oxo-3H-quinazolin-2-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 136803515
trans-(1S,3S)-3-[(4-oxo-3H-quinazolin-2-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 136803514
2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one
CID 137264057
2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]-3H-quinazolin-4-one
CID 137271068
2-(propylamino)-3H-quinazolin-4-one
CID 135439661
propan-2-yl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate
CID 14751342
2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-3H-quinazolin-4-one
CID 136911292
6-amino-2-[(1-methylpyrrolidin-3-yl)amino]-3H-quinazolin-4-one
CID 136808808

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propanoylpyrrolidin-3-yl)amino]-3H-quinazolin-4-one?
The IUPAC name of 2-[(1-propanoylpyrrolidin-3-yl)amino]-3H-quinazolin-4-one (CID 137270751) is 2-[(1-propanoylpyrrolidin-3-yl)amino]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(1-propanoylpyrrolidin-3-yl)amino]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(1-propanoylpyrrolidin-3-yl)amino]-3H-quinazolin-4-one is CCC(=O)N1CCC(Nc2nc3ccccc3c(=O)[nH]2)C1.
What is the InChIKey of 2-[(1-propanoylpyrrolidin-3-yl)amino]-3H-quinazolin-4-one?
The InChIKey is DXJOZUWIHGHZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-13(20)19-8-7-10(9-19)16-15-17-12-6-4-3-5-11(12)14(21)18-15/h3-6,10H,2,7-9H2,1H3,(H2,16,17,18,21).
What are the key properties of 2-[(1-propanoylpyrrolidin-3-yl)amino]-3H-quinazolin-4-one?
2-[(1-propanoylpyrrolidin-3-yl)amino]-3H-quinazolin-4-one has a molecular weight of 286.33 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propanoylpyrrolidin-3-yl)amino]-3H-quinazolin-4-one is sourced from PubChem (CID 137270751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).