2-[3-(3,4-dichlorophenyl)-2,4-dioxoquinazolin-1-yl]acetic acid

C16H10Cl2N2O4 — CID 14458947

IUPAC2-[3-(3,4-dichlorophenyl)-2,4-dioxoquinazolin-1-yl]acetic acid
SMILESO=C(O)Cn1c(=O)n(-c2ccc(Cl)c(Cl)c2)c(=O)c2ccccc21
InChIInChI=1S/C16H10Cl2N2O4/c17-11-6-5-9(7-12(11)18)20-15(23)10-3-1-2-4-13(10)19(16(20)24)8-14(21)22/h1-7H,8H2,(H,21,22)
InChIKeyIRJWVIIDKZJNND-UHFFFAOYSA-N
MW365.17 g/mol
LogP2.54
Rot. Bonds3

About 2-[3-(3,4-dichlorophenyl)-2,4-dioxoquinazolin-1-yl]acetic acid

2-[3-(3,4-dichlorophenyl)-2,4-dioxoquinazolin-1-yl]acetic acid (PubChem CID 14458947) has the molecular formula C16H10Cl2N2O4 and a molecular weight of 365.17 g/mol. Its IUPAC name is 2-[3-(3,4-dichlorophenyl)-2,4-dioxoquinazolin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(3,4-dichlorophenyl)-2,4-dioxoquinazolin-1-yl]acetic acid
PubChem CID14458947
Molecular FormulaC16H10Cl2N2O4
Molecular Weight365.17 g/mol
Exact Mass364.00
IUPAC Name2-[3-(3,4-dichlorophenyl)-2,4-dioxoquinazolin-1-yl]acetic acid
SMILESO=C(O)Cn1c(=O)n(-c2ccc(Cl)c(Cl)c2)c(=O)c2ccccc21
InChIInChI=1S/C16H10Cl2N2O4/c17-11-6-5-9(7-12(11)18)20-15(23)10-3-1-2-4-13(10)19(16(20)24)8-14(21)22/h1-7H,8H2,(H,21,22)
InChIKeyIRJWVIIDKZJNND-UHFFFAOYSA-N
XLogP2.54
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.17
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)quinazoline-2,4-dione
CID 17159909
3-(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 17159912
2-[3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 93301719
3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]quinazoline-2,4-dione
CID 17147919
3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione
CID 17147929
2-[4-[1-[2-(benzylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763194
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429419
2-[3-(3,4-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 95917137
2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-propan-2-ylacetamide
CID 50763110
2-(2,4-dioxo-3-phenylquinazolin-1-yl)-N-(2-methylphenyl)acetamide
CID 17147914
3-(3,5-dimethylphenyl)-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]quinazoline-2,4-dione
CID 164962152
3-(3-chloro-4-fluorophenyl)-1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]quinazoline-2,4-dione
CID 4046605

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dichlorophenyl)-2,4-dioxoquinazolin-1-yl]acetic acid?
The IUPAC name of 2-[3-(3,4-dichlorophenyl)-2,4-dioxoquinazolin-1-yl]acetic acid (CID 14458947) is 2-[3-(3,4-dichlorophenyl)-2,4-dioxoquinazolin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(3,4-dichlorophenyl)-2,4-dioxoquinazolin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(3,4-dichlorophenyl)-2,4-dioxoquinazolin-1-yl]acetic acid is O=C(O)Cn1c(=O)n(-c2ccc(Cl)c(Cl)c2)c(=O)c2ccccc21.
What is the InChIKey of 2-[3-(3,4-dichlorophenyl)-2,4-dioxoquinazolin-1-yl]acetic acid?
The InChIKey is IRJWVIIDKZJNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O4/c17-11-6-5-9(7-12(11)18)20-15(23)10-3-1-2-4-13(10)19(16(20)24)8-14(21)22/h1-7H,8H2,(H,21,22).
What are the key properties of 2-[3-(3,4-dichlorophenyl)-2,4-dioxoquinazolin-1-yl]acetic acid?
2-[3-(3,4-dichlorophenyl)-2,4-dioxoquinazolin-1-yl]acetic acid has a molecular weight of 365.17 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dichlorophenyl)-2,4-dioxoquinazolin-1-yl]acetic acid is sourced from PubChem (CID 14458947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).