N-(2-cyclobutyl-4-oxoquinazolin-3-yl)propanamide

C15H17N3O2 — CID 1457795

IUPACN-(2-cyclobutyl-4-oxoquinazolin-3-yl)propanamide
SMILESCCC(=O)Nn1c(C2CCC2)nc2ccccc2c1=O
InChIInChI=1S/C15H17N3O2/c1-2-13(19)17-18-14(10-6-5-7-10)16-12-9-4-3-8-11(12)15(18)20/h3-4,8-10H,2,5-7H2,1H3,(H,17,19)
InChIKeyXHRHSMIYYRYRIC-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.14
Rot. Bonds3

About N-(2-cyclobutyl-4-oxoquinazolin-3-yl)propanamide

N-(2-cyclobutyl-4-oxoquinazolin-3-yl)propanamide (PubChem CID 1457795) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(2-cyclobutyl-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyclobutyl-4-oxoquinazolin-3-yl)propanamide
PubChem CID1457795
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(2-cyclobutyl-4-oxoquinazolin-3-yl)propanamide
SMILESCCC(=O)Nn1c(C2CCC2)nc2ccccc2c1=O
InChIInChI=1S/C15H17N3O2/c1-2-13(19)17-18-14(10-6-5-7-10)16-12-9-4-3-8-11(12)15(18)20/h3-4,8-10H,2,5-7H2,1H3,(H,17,19)
InChIKeyXHRHSMIYYRYRIC-UHFFFAOYSA-N
XLogP2.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutyl-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(2-cyclobutyl-4-oxoquinazolin-3-yl)propanamide (CID 1457795) is N-(2-cyclobutyl-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(2-cyclobutyl-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(2-cyclobutyl-4-oxoquinazolin-3-yl)propanamide is CCC(=O)Nn1c(C2CCC2)nc2ccccc2c1=O.
What is the InChIKey of N-(2-cyclobutyl-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is XHRHSMIYYRYRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-13(19)17-18-14(10-6-5-7-10)16-12-9-4-3-8-11(12)15(18)20/h3-4,8-10H,2,5-7H2,1H3,(H,17,19).
What are the key properties of N-(2-cyclobutyl-4-oxoquinazolin-3-yl)propanamide?
N-(2-cyclobutyl-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 271.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutyl-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 1457795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).