2-(butylaminomethyl)-3-(4-methoxyphenyl)quinazolin-4-one

C20H23N3O2 — CID 131874393

IUPAC2-(butylaminomethyl)-3-(4-methoxyphenyl)quinazolin-4-one
SMILESCCCCNCc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1
InChIInChI=1S/C20H23N3O2/c1-3-4-13-21-14-19-22-18-8-6-5-7-17(18)20(24)23(19)15-9-11-16(25-2)12-10-15/h5-12,21H,3-4,13-14H2,1-2H3
InChIKeyKLGYMYLGQNPDGS-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.28
Rot. Bonds7

About 2-(butylaminomethyl)-3-(4-methoxyphenyl)quinazolin-4-one

2-(butylaminomethyl)-3-(4-methoxyphenyl)quinazolin-4-one (PubChem CID 131874393) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(butylaminomethyl)-3-(4-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(butylaminomethyl)-3-(4-methoxyphenyl)quinazolin-4-one
PubChem CID131874393
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-(butylaminomethyl)-3-(4-methoxyphenyl)quinazolin-4-one
SMILESCCCCNCc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1
InChIInChI=1S/C20H23N3O2/c1-3-4-13-21-14-19-22-18-8-6-5-7-17(18)20(24)23(19)15-9-11-16(25-2)12-10-15/h5-12,21H,3-4,13-14H2,1-2H3
InChIKeyKLGYMYLGQNPDGS-UHFFFAOYSA-N
XLogP3.28
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-3-(4-methoxyphenyl)quinazolin-4-one
CID 1130557
3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one
CID 12631795
3-[4-[3-(hexylamino)propoxy]phenyl]-2-methylquinazolin-4-one
CID 141120873
2-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione
CID 1366773
2-amino-3-(4-methoxyphenyl)quinazolin-4-one
CID 71652488
3-(4-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-one
CID 3970898
2-ethyl-3-phenylquinazolin-4-one
CID 719985
6-methoxy-3-phenyl-2-propylquinazolin-4-one
CID 154639055
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
[(1S)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium
CID 7365239
5-(5-methoxy-3-pyridinyl)-3-phenyl-2-(propylaminomethyl)quinazolin-4-one
CID 144779762
3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one
CID 659793

Frequently Asked Questions

What is the IUPAC name of 2-(butylaminomethyl)-3-(4-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 2-(butylaminomethyl)-3-(4-methoxyphenyl)quinazolin-4-one (CID 131874393) is 2-(butylaminomethyl)-3-(4-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 2-(butylaminomethyl)-3-(4-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 2-(butylaminomethyl)-3-(4-methoxyphenyl)quinazolin-4-one is CCCCNCc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1.
What is the InChIKey of 2-(butylaminomethyl)-3-(4-methoxyphenyl)quinazolin-4-one?
The InChIKey is KLGYMYLGQNPDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-4-13-21-14-19-22-18-8-6-5-7-17(18)20(24)23(19)15-9-11-16(25-2)12-10-15/h5-12,21H,3-4,13-14H2,1-2H3.
What are the key properties of 2-(butylaminomethyl)-3-(4-methoxyphenyl)quinazolin-4-one?
2-(butylaminomethyl)-3-(4-methoxyphenyl)quinazolin-4-one has a molecular weight of 337.42 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylaminomethyl)-3-(4-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 131874393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).