2-benzyl-3-butylquinazolin-4-one

C19H20N2O — CID 12563436

IUPAC2-benzyl-3-butylquinazolin-4-one
SMILESCCCCn1c(Cc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C19H20N2O/c1-2-3-13-21-18(14-15-9-5-4-6-10-15)20-17-12-8-7-11-16(17)19(21)22/h4-12H,2-3,13-14H2,1H3
InChIKeyAFFXBKLDESCZTR-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.79
Rot. Bonds5

About 2-benzyl-3-butylquinazolin-4-one

2-benzyl-3-butylquinazolin-4-one (PubChem CID 12563436) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-benzyl-3-butylquinazolin-4-one.

Molecular Properties

Compound Name2-benzyl-3-butylquinazolin-4-one
PubChem CID12563436
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name2-benzyl-3-butylquinazolin-4-one
SMILESCCCCn1c(Cc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C19H20N2O/c1-2-3-13-21-18(14-15-9-5-4-6-10-15)20-17-12-8-7-11-16(17)19(21)22/h4-12H,2-3,13-14H2,1H3
InChIKeyAFFXBKLDESCZTR-UHFFFAOYSA-N
XLogP3.79
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-3-pentylquinazolin-4-one
CID 529110
3-(3-butyl-4-oxoquinazolin-2-yl)propanoic acid
CID 61394549
2-amino-3-butylquinazolin-4-one
CID 71653207
3-(3-chloropropyl)-2-ethylquinazolin-4-one
CID 59723865
2-benzyl-1-hexadecylbenzimidazole
CID 4627397
3-(4-hydroxybutyl)-2-propylquinazolin-4-one
CID 59723833
3-hexyl-2-phenylquinazolin-4-one
CID 7559853
3-benzyl-4-butyl-1H-1,2,4-triazol-5-one
CID 2824779
2-(chloromethyl)-3-[3-(diethylamino)propyl]quinazolin-4-one
CID 61064400
3-(2-ethyl-4-oxoquinazolin-3-yl)propyl propanoate
CID 59723876
3-butyl-2-(4-hydroxybutylsulfanyl)quinazolin-4-one
CID 110931344
2-(2-bromoprop-2-enylsulfanyl)-3-butylquinazolin-4-one
CID 52727602

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-butylquinazolin-4-one?
The IUPAC name of 2-benzyl-3-butylquinazolin-4-one (CID 12563436) is 2-benzyl-3-butylquinazolin-4-one.
What is the SMILES notation for 2-benzyl-3-butylquinazolin-4-one?
The canonical SMILES for 2-benzyl-3-butylquinazolin-4-one is CCCCn1c(Cc2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 2-benzyl-3-butylquinazolin-4-one?
The InChIKey is AFFXBKLDESCZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-2-3-13-21-18(14-15-9-5-4-6-10-15)20-17-12-8-7-11-16(17)19(21)22/h4-12H,2-3,13-14H2,1H3.
What are the key properties of 2-benzyl-3-butylquinazolin-4-one?
2-benzyl-3-butylquinazolin-4-one has a molecular weight of 292.38 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-butylquinazolin-4-one is sourced from PubChem (CID 12563436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).