3-[(4-methoxyphenyl)methyl]-2-phenyl-4H-quinazoline-7-carboxylic acid

C23H20N2O3 — CID 102301423

IUPAC3-[(4-methoxyphenyl)methyl]-2-phenyl-4H-quinazoline-7-carboxylic acid
SMILESCOc1ccc(CN2Cc3ccc(C(=O)O)cc3N=C2c2ccccc2)cc1
InChIInChI=1S/C23H20N2O3/c1-28-20-11-7-16(8-12-20)14-25-15-19-10-9-18(23(26)27)13-21(19)24-22(25)17-5-3-2-4-6-17/h2-13H,14-15H2,1H3,(H,26,27)
InChIKeyCRGSJYXOIUZBTB-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.49
Rot. Bonds5

About 3-[(4-methoxyphenyl)methyl]-2-phenyl-4H-quinazoline-7-carboxylic acid

3-[(4-methoxyphenyl)methyl]-2-phenyl-4H-quinazoline-7-carboxylic acid (PubChem CID 102301423) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-2-phenyl-4H-quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-2-phenyl-4H-quinazoline-7-carboxylic acid
PubChem CID102301423
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name3-[(4-methoxyphenyl)methyl]-2-phenyl-4H-quinazoline-7-carboxylic acid
SMILESCOc1ccc(CN2Cc3ccc(C(=O)O)cc3N=C2c2ccccc2)cc1
InChIInChI=1S/C23H20N2O3/c1-28-20-11-7-16(8-12-20)14-25-15-19-10-9-18(23(26)27)13-21(19)24-22(25)17-5-3-2-4-6-17/h2-13H,14-15H2,1H3,(H,26,27)
InChIKeyCRGSJYXOIUZBTB-UHFFFAOYSA-N
XLogP4.49
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-dimethoxyphenyl)methyl]-2-(2-nitrophenyl)-4H-quinazoline-7-carboxylic acid
CID 102301421
4-[(4-methoxyphenyl)methyl]-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxylic acid
CID 122437943
1-[(4-methoxyphenyl)methyl]indole-5-carboxylic acid
CID 63748947
methyl 2-[(4-methoxyphenyl)methyl]-3-oxo-1H-isoindole-5-carboxylate
CID 58243740
2-benzyl-3-oxo-1H-isoindole-5-carboxylic acid
CID 67265769
2-[2-[(4-methoxyphenyl)methyl]-3-oxo-1H-isoindol-5-yl]acetic acid
CID 174188826
1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one
CID 145164386
3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione
CID 15149331
3-[(4-methoxyphenyl)methyl]-1-methyl-4-oxo-2H-quinazoline-6-carboxylic acid
CID 22482139
6-[(4-methoxyphenyl)methyl]-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
CID 134810342
1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 80502819
10-[(4-methoxyphenyl)methyl]-2-(2-phenoxyacetyl)-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-14-carboxylic acid
CID 155994018

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-2-phenyl-4H-quinazoline-7-carboxylic acid?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-2-phenyl-4H-quinazoline-7-carboxylic acid (CID 102301423) is 3-[(4-methoxyphenyl)methyl]-2-phenyl-4H-quinazoline-7-carboxylic acid.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-2-phenyl-4H-quinazoline-7-carboxylic acid?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-2-phenyl-4H-quinazoline-7-carboxylic acid is COc1ccc(CN2Cc3ccc(C(=O)O)cc3N=C2c2ccccc2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-2-phenyl-4H-quinazoline-7-carboxylic acid?
The InChIKey is CRGSJYXOIUZBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-28-20-11-7-16(8-12-20)14-25-15-19-10-9-18(23(26)27)13-21(19)24-22(25)17-5-3-2-4-6-17/h2-13H,14-15H2,1H3,(H,26,27).
What are the key properties of 3-[(4-methoxyphenyl)methyl]-2-phenyl-4H-quinazoline-7-carboxylic acid?
3-[(4-methoxyphenyl)methyl]-2-phenyl-4H-quinazoline-7-carboxylic acid has a molecular weight of 372.42 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-2-phenyl-4H-quinazoline-7-carboxylic acid is sourced from PubChem (CID 102301423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).