3-[(3-methoxyanilino)methylamino]-2-methylquinazolin-4-one

C17H18N4O2 — CID 11266888

IUPAC3-[(3-methoxyanilino)methylamino]-2-methylquinazolin-4-one
SMILESCOc1cccc(NCNn2c(C)nc3ccccc3c2=O)c1
InChIInChI=1S/C17H18N4O2/c1-12-20-16-9-4-3-8-15(16)17(22)21(12)19-11-18-13-6-5-7-14(10-13)23-2/h3-10,18-19H,11H2,1-2H3
InChIKeyKVRATZODEYWCTD-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.33
Rot. Bonds5

About 3-[(3-methoxyanilino)methylamino]-2-methylquinazolin-4-one

3-[(3-methoxyanilino)methylamino]-2-methylquinazolin-4-one (PubChem CID 11266888) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-[(3-methoxyanilino)methylamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[(3-methoxyanilino)methylamino]-2-methylquinazolin-4-one
PubChem CID11266888
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3-[(3-methoxyanilino)methylamino]-2-methylquinazolin-4-one
SMILESCOc1cccc(NCNn2c(C)nc3ccccc3c2=O)c1
InChIInChI=1S/C17H18N4O2/c1-12-20-16-9-4-3-8-15(16)17(22)21(12)19-11-18-13-6-5-7-14(10-13)23-2/h3-10,18-19H,11H2,1-2H3
InChIKeyKVRATZODEYWCTD-UHFFFAOYSA-N
XLogP2.33
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[[5-[(E)-(3-methoxyphenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]methylamino]-2-methylquinazolin-4-one
CID 10916524
3-[(4-methoxyphenyl)methylamino]-2-(3-methylphenyl)quinazolin-4-one
CID 23907241
N-(3-methoxyphenyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 2639350
3-[(3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 2593639
N-(2-methyl-4-oxoquinazolin-3-yl)-3-phenoxybenzamide
CID 2545082
2,5-dimethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 18576721
3-anilino-2-(2-methoxyphenyl)quinazolin-4-one
CID 134956314
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
2-(3-methoxyanilino)-12,14-dimethyl-9,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one
CID 10339804
N-(3-methoxyphenyl)-2-(2-methylquinolin-4-yl)oxyacetamide
CID 99835658
N-(3-methoxyphenyl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 42964055
N-(2-methyl-4-oxoquinazolin-3-yl)methanesulfonamide
CID 1257433

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyanilino)methylamino]-2-methylquinazolin-4-one?
The IUPAC name of 3-[(3-methoxyanilino)methylamino]-2-methylquinazolin-4-one (CID 11266888) is 3-[(3-methoxyanilino)methylamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[(3-methoxyanilino)methylamino]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[(3-methoxyanilino)methylamino]-2-methylquinazolin-4-one is COc1cccc(NCNn2c(C)nc3ccccc3c2=O)c1.
What is the InChIKey of 3-[(3-methoxyanilino)methylamino]-2-methylquinazolin-4-one?
The InChIKey is KVRATZODEYWCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-20-16-9-4-3-8-15(16)17(22)21(12)19-11-18-13-6-5-7-14(10-13)23-2/h3-10,18-19H,11H2,1-2H3.
What are the key properties of 3-[(3-methoxyanilino)methylamino]-2-methylquinazolin-4-one?
3-[(3-methoxyanilino)methylamino]-2-methylquinazolin-4-one has a molecular weight of 310.36 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyanilino)methylamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 11266888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).