4-[benzyl(methyl)amino]-7-chloro-1H-quinazolin-2-one

C16H14ClN3O — CID 166628474

IUPAC4-[benzyl(methyl)amino]-7-chloro-1H-quinazolin-2-one
SMILESCN(Cc1ccccc1)c1nc(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H14ClN3O/c1-20(10-11-5-3-2-4-6-11)15-13-8-7-12(17)9-14(13)18-16(21)19-15/h2-9H,10H2,1H3,(H,18,19,21)
InChIKeyVPYFJYINWPDGJB-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.21
Rot. Bonds3

About 4-[benzyl(methyl)amino]-7-chloro-1H-quinazolin-2-one

4-[benzyl(methyl)amino]-7-chloro-1H-quinazolin-2-one (PubChem CID 166628474) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 4-[benzyl(methyl)amino]-7-chloro-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-[benzyl(methyl)amino]-7-chloro-1H-quinazolin-2-one
PubChem CID166628474
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name4-[benzyl(methyl)amino]-7-chloro-1H-quinazolin-2-one
SMILESCN(Cc1ccccc1)c1nc(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H14ClN3O/c1-20(10-11-5-3-2-4-6-11)15-13-8-7-12(17)9-14(13)18-16(21)19-15/h2-9H,10H2,1H3,(H,18,19,21)
InChIKeyVPYFJYINWPDGJB-UHFFFAOYSA-N
XLogP3.21
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)amino]-7-chloro-1H-quinazolin-2-one?
The IUPAC name of 4-[benzyl(methyl)amino]-7-chloro-1H-quinazolin-2-one (CID 166628474) is 4-[benzyl(methyl)amino]-7-chloro-1H-quinazolin-2-one.
What is the SMILES notation for 4-[benzyl(methyl)amino]-7-chloro-1H-quinazolin-2-one?
The canonical SMILES for 4-[benzyl(methyl)amino]-7-chloro-1H-quinazolin-2-one is CN(Cc1ccccc1)c1nc(=O)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 4-[benzyl(methyl)amino]-7-chloro-1H-quinazolin-2-one?
The InChIKey is VPYFJYINWPDGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-20(10-11-5-3-2-4-6-11)15-13-8-7-12(17)9-14(13)18-16(21)19-15/h2-9H,10H2,1H3,(H,18,19,21).
What are the key properties of 4-[benzyl(methyl)amino]-7-chloro-1H-quinazolin-2-one?
4-[benzyl(methyl)amino]-7-chloro-1H-quinazolin-2-one has a molecular weight of 299.76 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)amino]-7-chloro-1H-quinazolin-2-one is sourced from PubChem (CID 166628474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).