2-ethyl-N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)butanamide

C15H21N3O2 — CID 3740989

IUPAC2-ethyl-N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)butanamide
SMILESCCC(CC)C(=O)Nc1ncc2c(n1)CC(C)CC2=O
InChIInChI=1S/C15H21N3O2/c1-4-10(5-2)14(20)18-15-16-8-11-12(17-15)6-9(3)7-13(11)19/h8-10H,4-7H2,1-3H3,(H,16,17,18,20)
InChIKeyCOJJMWRFKGBZRF-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.62
Rot. Bonds4

About 2-ethyl-N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)butanamide

2-ethyl-N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)butanamide (PubChem CID 3740989) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-ethyl-N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)butanamide
PubChem CID3740989
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-ethyl-N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)butanamide
SMILESCCC(CC)C(=O)Nc1ncc2c(n1)CC(C)CC2=O
InChIInChI=1S/C15H21N3O2/c1-4-10(5-2)14(20)18-15-16-8-11-12(17-15)6-9(3)7-13(11)19/h8-10H,4-7H2,1-3H3,(H,16,17,18,20)
InChIKeyCOJJMWRFKGBZRF-UHFFFAOYSA-N
XLogP2.62
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)butanamide?
The IUPAC name of 2-ethyl-N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)butanamide (CID 3740989) is 2-ethyl-N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)butanamide.
What is the SMILES notation for 2-ethyl-N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)butanamide?
The canonical SMILES for 2-ethyl-N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)butanamide is CCC(CC)C(=O)Nc1ncc2c(n1)CC(C)CC2=O.
What is the InChIKey of 2-ethyl-N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)butanamide?
The InChIKey is COJJMWRFKGBZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-10(5-2)14(20)18-15-16-8-11-12(17-15)6-9(3)7-13(11)19/h8-10H,4-7H2,1-3H3,(H,16,17,18,20).
What are the key properties of 2-ethyl-N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)butanamide?
2-ethyl-N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)butanamide has a molecular weight of 275.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 3740989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).