2-butyl-3-[2-(methylamino)phenyl]quinazolin-4-one

C19H21N3O — CID 71072745

IUPAC2-butyl-3-[2-(methylamino)phenyl]quinazolin-4-one
SMILESCCCCc1nc2ccccc2c(=O)n1-c1ccccc1NC
InChIInChI=1S/C19H21N3O/c1-3-4-13-18-21-15-10-6-5-9-14(15)19(23)22(18)17-12-8-7-11-16(17)20-2/h5-12,20H,3-4,13H2,1-2H3
InChIKeyZGKAAWBWUYZZNM-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.77
Rot. Bonds5

About 2-butyl-3-[2-(methylamino)phenyl]quinazolin-4-one

2-butyl-3-[2-(methylamino)phenyl]quinazolin-4-one (PubChem CID 71072745) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-butyl-3-[2-(methylamino)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name2-butyl-3-[2-(methylamino)phenyl]quinazolin-4-one
PubChem CID71072745
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-butyl-3-[2-(methylamino)phenyl]quinazolin-4-one
SMILESCCCCc1nc2ccccc2c(=O)n1-c1ccccc1NC
InChIInChI=1S/C19H21N3O/c1-3-4-13-18-21-15-10-6-5-9-14(15)19(23)22(18)17-12-8-7-11-16(17)20-2/h5-12,20H,3-4,13H2,1-2H3
InChIKeyZGKAAWBWUYZZNM-UHFFFAOYSA-N
XLogP3.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one
CID 12631795
2-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]guanidine
CID 24989132
2-(chloromethyl)-3-(2-ethylphenyl)quinazolin-4-one
CID 61064059
3-amino-2-heptylquinazolin-4-one
CID 154013236
2-benzyl-3-butylquinazolin-4-one
CID 12563436
2-butyl-3-(2,3-dihydro-1H-indol-5-yl)quinazolin-4-one
CID 24989172
2-ethyl-3-pentylquinazolin-4-one
CID 529110
2-[1-(butylamino)ethyl]-3-(2-methylphenyl)quinazolin-4-one
CID 3634718
[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]methyl N-tert-butylcarbamate
CID 24989164
2-(2-butoxyethoxymethyl)-3-(2-methoxyphenyl)quinazolin-4-one
CID 10429989
2-butyl-3-[4-[(1-tert-butylpyrrolidin-3-yl)amino]phenyl]quinazolin-4-one
CID 91476912
2-ethyl-3-phenylquinazolin-4-one
CID 719985

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-[2-(methylamino)phenyl]quinazolin-4-one?
The IUPAC name of 2-butyl-3-[2-(methylamino)phenyl]quinazolin-4-one (CID 71072745) is 2-butyl-3-[2-(methylamino)phenyl]quinazolin-4-one.
What is the SMILES notation for 2-butyl-3-[2-(methylamino)phenyl]quinazolin-4-one?
The canonical SMILES for 2-butyl-3-[2-(methylamino)phenyl]quinazolin-4-one is CCCCc1nc2ccccc2c(=O)n1-c1ccccc1NC.
What is the InChIKey of 2-butyl-3-[2-(methylamino)phenyl]quinazolin-4-one?
The InChIKey is ZGKAAWBWUYZZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-3-4-13-18-21-15-10-6-5-9-14(15)19(23)22(18)17-12-8-7-11-16(17)20-2/h5-12,20H,3-4,13H2,1-2H3.
What are the key properties of 2-butyl-3-[2-(methylamino)phenyl]quinazolin-4-one?
2-butyl-3-[2-(methylamino)phenyl]quinazolin-4-one has a molecular weight of 307.40 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-[2-(methylamino)phenyl]quinazolin-4-one is sourced from PubChem (CID 71072745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).