2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetic acid

C16H11ClN2O3 — CID 45030979

IUPAC2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetic acid
SMILESO=C(O)Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C16H11ClN2O3/c17-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)18-16(22)19(13)9-14(20)21/h1-8H,9H2,(H,20,21)
InChIKeyYZMBNOJCYQCWHG-UHFFFAOYSA-N
MW314.73 g/mol
LogP2.80
Rot. Bonds3

About 2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetic acid

2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetic acid (PubChem CID 45030979) has the molecular formula C16H11ClN2O3 and a molecular weight of 314.73 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetic acid
PubChem CID45030979
Molecular FormulaC16H11ClN2O3
Molecular Weight314.73 g/mol
Exact Mass314.05
IUPAC Name2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetic acid
SMILESO=C(O)Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C16H11ClN2O3/c17-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)18-16(22)19(13)9-14(20)21/h1-8H,9H2,(H,20,21)
InChIKeyYZMBNOJCYQCWHG-UHFFFAOYSA-N
XLogP2.80
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 16875842
N-(2-chloro-4-methylphenyl)-2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 46506830
6-chloro-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one
CID 46346805
N-(3-chlorophenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721691
6-fluoro-4-phenyl-1-(2,2,2-trichloroethyl)quinazolin-2-one
CID 172727956
N-(2-chloro-4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 46346696
2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 20963097
2-[5-chloro-2-methyl-3-(4-oxo-3H-phthalazin-1-yl)indol-1-yl]acetic acid
CID 67151302
2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 16875859
2-(6-chloropyrido[3,4-b]indol-9-yl)acetic acid
CID 21362668
N-(3-chloro-2-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721712
2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetate
CID 40598517

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetic acid?
The IUPAC name of 2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetic acid (CID 45030979) is 2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetic acid.
What is the SMILES notation for 2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetic acid?
The canonical SMILES for 2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetic acid is O=C(O)Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21.
What is the InChIKey of 2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetic acid?
The InChIKey is YZMBNOJCYQCWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O3/c17-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)18-16(22)19(13)9-14(20)21/h1-8H,9H2,(H,20,21).
What are the key properties of 2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetic acid?
2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetic acid has a molecular weight of 314.73 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetic acid is sourced from PubChem (CID 45030979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).