4-[3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid

C22H18N2O4 — CID 17409789

IUPAC4-[3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
SMILESCOc1cccc(N2C(=O)c3ccccc3NC2c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C22H18N2O4/c1-28-17-6-4-5-16(13-17)24-20(14-9-11-15(12-10-14)22(26)27)23-19-8-3-2-7-18(19)21(24)25/h2-13,20,23H,1H3,(H,26,27)
InChIKeyILPQIZFOSMVPOW-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.16
Rot. Bonds4

About 4-[3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid

4-[3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid (PubChem CID 17409789) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 4-[3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
PubChem CID17409789
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name4-[3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
SMILESCOc1cccc(N2C(=O)c3ccccc3NC2c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C22H18N2O4/c1-28-17-6-4-5-16(13-17)24-20(14-9-11-15(12-10-14)22(26)27)23-19-8-3-2-7-18(19)21(24)25/h2-13,20,23H,1H3,(H,26,27)
InChIKeyILPQIZFOSMVPOW-UHFFFAOYSA-N
XLogP4.16
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3-bromo-4-hydroxyphenyl)-3-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 25354877
4-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
CID 43000917
methyl 4-[(2R)-6-bromo-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate
CID 1009300
3-(3-methoxyphenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 75412903
3-(4-tert-butylphenyl)-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 176687475
4-[(2S)-4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl]benzoate
CID 9006940
methyl 4-[(2S)-3-(3,4-dimethylphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate
CID 994206
N-ethyl-2-[2-methoxy-4-[3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 55355452
2-(2-fluoro-4-methoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 155803459
(2S)-3-(3-methoxyphenyl)-2-[4-(methylamino)-3-nitrophenyl]-1,2-dihydroquinazolin-4-one
CID 52529927
N-[4-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
CID 3988866
(2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 7659372

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid?
The IUPAC name of 4-[3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid (CID 17409789) is 4-[3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid.
What is the SMILES notation for 4-[3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid?
The canonical SMILES for 4-[3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid is COc1cccc(N2C(=O)c3ccccc3NC2c2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid?
The InChIKey is ILPQIZFOSMVPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-28-17-6-4-5-16(13-17)24-20(14-9-11-15(12-10-14)22(26)27)23-19-8-3-2-7-18(19)21(24)25/h2-13,20,23H,1H3,(H,26,27).
What are the key properties of 4-[3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid?
4-[3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid has a molecular weight of 374.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid is sourced from PubChem (CID 17409789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).