2-ethyl-1-(3-methylbutyl)quinazolin-4-one

C15H20N2O — CID 144839436

IUPAC2-ethyl-1-(3-methylbutyl)quinazolin-4-one
SMILESCCc1nc(=O)c2ccccc2n1CCC(C)C
InChIInChI=1S/C15H20N2O/c1-4-14-16-15(18)12-7-5-6-8-13(12)17(14)10-9-11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyCSVRSDDPJOPESA-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.01
Rot. Bonds4

About 2-ethyl-1-(3-methylbutyl)quinazolin-4-one

2-ethyl-1-(3-methylbutyl)quinazolin-4-one (PubChem CID 144839436) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-ethyl-1-(3-methylbutyl)quinazolin-4-one.

Molecular Properties

Compound Name2-ethyl-1-(3-methylbutyl)quinazolin-4-one
PubChem CID144839436
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-ethyl-1-(3-methylbutyl)quinazolin-4-one
SMILESCCc1nc(=O)c2ccccc2n1CCC(C)C
InChIInChI=1S/C15H20N2O/c1-4-14-16-15(18)12-7-5-6-8-13(12)17(14)10-9-11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyCSVRSDDPJOPESA-UHFFFAOYSA-N
XLogP3.01
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-2-ethyl-1-(3-methylbutyl)quinazolin-4-one
CID 144839438
3-ethyl-1-(3-methylbutyl)quinazoline-2,4-dione
CID 17132362
1-(3-methylbutyl)-2-[(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)methyl]quinazolin-4-one;oxolane
CID 144839420
1-(3-methylbutyl)-2-oxoquinoline-4-carboxylic acid
CID 10015416
10-(2-methylpropyl)acridin-9-one
CID 59742563
1-methyl-3-(3-methylbutyl)benzimidazol-2-one
CID 115685391
3-cyclopropyl-1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione
CID 20814053
9-(4-methylpentyl)carbazole
CID 153073309
1-(3-methylbutyl)-4-(2-methylpropyl)piperazine;3-(3-methylbutyl)-1-(2-methylpropyl)quinazoline-2,4-dione
CID 161337355
1-ethyl-2-hydrazinylquinazolin-4-one
CID 13233379
4-(2-ethylbenzimidazol-1-yl)-2-(propan-2-ylamino)butanoic acid
CID 63106183
6-(2-ethylbenzimidazol-1-yl)hexan-2-amine
CID 63107097

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-methylbutyl)quinazolin-4-one?
The IUPAC name of 2-ethyl-1-(3-methylbutyl)quinazolin-4-one (CID 144839436) is 2-ethyl-1-(3-methylbutyl)quinazolin-4-one.
What is the SMILES notation for 2-ethyl-1-(3-methylbutyl)quinazolin-4-one?
The canonical SMILES for 2-ethyl-1-(3-methylbutyl)quinazolin-4-one is CCc1nc(=O)c2ccccc2n1CCC(C)C.
What is the InChIKey of 2-ethyl-1-(3-methylbutyl)quinazolin-4-one?
The InChIKey is CSVRSDDPJOPESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-14-16-15(18)12-7-5-6-8-13(12)17(14)10-9-11(2)3/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 2-ethyl-1-(3-methylbutyl)quinazolin-4-one?
2-ethyl-1-(3-methylbutyl)quinazolin-4-one has a molecular weight of 244.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-methylbutyl)quinazolin-4-one is sourced from PubChem (CID 144839436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).