2-[7-chloro-3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid

C18H15ClN2O5 — CID 42810737

IUPAC2-[7-chloro-3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid
SMILESCOc1ccc(-n2c(=O)c3ccc(Cl)cc3n(C(C)C(=O)O)c2=O)cc1
InChIInChI=1S/C18H15ClN2O5/c1-10(17(23)24)20-15-9-11(19)3-8-14(15)16(22)21(18(20)25)12-4-6-13(26-2)7-5-12/h3-10H,1-2H3,(H,23,24)
InChIKeyURKVHDCGZQDFOF-UHFFFAOYSA-N
MW374.78 g/mol
LogP2.46
Rot. Bonds4

About 2-[7-chloro-3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid

2-[7-chloro-3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid (PubChem CID 42810737) has the molecular formula C18H15ClN2O5 and a molecular weight of 374.78 g/mol. Its IUPAC name is 2-[7-chloro-3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[7-chloro-3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid
PubChem CID42810737
Molecular FormulaC18H15ClN2O5
Molecular Weight374.78 g/mol
Exact Mass374.07
IUPAC Name2-[7-chloro-3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid
SMILESCOc1ccc(-n2c(=O)c3ccc(Cl)cc3n(C(C)C(=O)O)c2=O)cc1
InChIInChI=1S/C18H15ClN2O5/c1-10(17(23)24)20-15-9-11(19)3-8-14(15)16(22)21(18(20)25)12-4-6-13(26-2)7-5-12/h3-10H,1-2H3,(H,23,24)
InChIKeyURKVHDCGZQDFOF-UHFFFAOYSA-N
XLogP2.46
TPSA90.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[7-chloro-3-(4-ethoxyphenyl)-2,4-dioxoquinazolin-1-yl]butanoic acid
CID 42810748
(2S)-2-[7-chloro-3-(4-ethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylpropyl)propanamide
CID 93302190
(2R)-2-[7-chloro-3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)propanamide
CID 93302133
2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide
CID 24718369
2-[7-chloro-6-fluoro-3-[(4-methoxyphenyl)methyl]-2,4-dioxoquinazolin-1-yl]propanoic acid
CID 118499227
N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]propanamide
CID 71959512
(2R)-2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid
CID 93142932
[(1S)-1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium
CID 7202114
N-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 42717939
7-chloro-1-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-3-(3-methylphenyl)quinazoline-2,4-dione
CID 42812067
2-[3-(4-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 17027583
2-(7-chloro-4-oxoquinolin-1-yl)propanoic acid
CID 53269466

Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid?
The IUPAC name of 2-[7-chloro-3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid (CID 42810737) is 2-[7-chloro-3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid.
What is the SMILES notation for 2-[7-chloro-3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid?
The canonical SMILES for 2-[7-chloro-3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid is COc1ccc(-n2c(=O)c3ccc(Cl)cc3n(C(C)C(=O)O)c2=O)cc1.
What is the InChIKey of 2-[7-chloro-3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid?
The InChIKey is URKVHDCGZQDFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O5/c1-10(17(23)24)20-15-9-11(19)3-8-14(15)16(22)21(18(20)25)12-4-6-13(26-2)7-5-12/h3-10H,1-2H3,(H,23,24).
What are the key properties of 2-[7-chloro-3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid?
2-[7-chloro-3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid has a molecular weight of 374.78 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid is sourced from PubChem (CID 42810737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).