2-(propylamino)-3H-quinazolin-4-one

C11H13N3O — CID 135439661

IUPAC2-(propylamino)-3H-quinazolin-4-one
SMILESCCCNc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C11H13N3O/c1-2-7-12-11-13-9-6-4-3-5-8(9)10(15)14-11/h3-6H,2,7H2,1H3,(H2,12,13,14,15)
InChIKeyKCSKLFOUSOPWDI-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.75
Rot. Bonds3

About 2-(propylamino)-3H-quinazolin-4-one

2-(propylamino)-3H-quinazolin-4-one (PubChem CID 135439661) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-(propylamino)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(propylamino)-3H-quinazolin-4-one
PubChem CID135439661
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-(propylamino)-3H-quinazolin-4-one
SMILESCCCNc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C11H13N3O/c1-2-7-12-11-13-9-6-4-3-5-8(9)10(15)14-11/h3-6H,2,7H2,1H3,(H2,12,13,14,15)
InChIKeyKCSKLFOUSOPWDI-UHFFFAOYSA-N
XLogP1.75
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-hydroxy-3-phenylbutyl)amino]-3H-quinazolin-4-one
CID 137267444
2-(5-methoxypentylamino)-3H-quinazolin-4-one
CID 137264454
2-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-3H-quinazolin-4-one
CID 137266334
2-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one
CID 137257492
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
N,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide
CID 137264056
2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one
CID 137264057
2-(2-morpholin-4-ylethylamino)-3H-quinazolin-4-one
CID 136779605
2-[[4-(dimethylamino)phenyl]methylamino]-3H-quinazolin-4-one
CID 137264078
2-[(4-methoxy-2,2-dimethylbutyl)amino]-3H-quinazolin-4-one
CID 137273780
4-chloro-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]benzamide
CID 137264161
2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-3H-quinazolin-4-one
CID 135709418

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-3H-quinazolin-4-one?
The IUPAC name of 2-(propylamino)-3H-quinazolin-4-one (CID 135439661) is 2-(propylamino)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(propylamino)-3H-quinazolin-4-one?
The canonical SMILES for 2-(propylamino)-3H-quinazolin-4-one is CCCNc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-(propylamino)-3H-quinazolin-4-one?
The InChIKey is KCSKLFOUSOPWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-7-12-11-13-9-6-4-3-5-8(9)10(15)14-11/h3-6H,2,7H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-(propylamino)-3H-quinazolin-4-one?
2-(propylamino)-3H-quinazolin-4-one has a molecular weight of 203.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-3H-quinazolin-4-one is sourced from PubChem (CID 135439661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).