2-[3-(1-benzyl-2-oxoquinazolin-4-yl)-4-methoxyphenyl]acetic acid

C24H20N2O4 — CID 70687356

IUPAC2-[3-(1-benzyl-2-oxoquinazolin-4-yl)-4-methoxyphenyl]acetic acid
SMILESCOc1ccc(CC(=O)O)cc1-c1nc(=O)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C24H20N2O4/c1-30-21-12-11-17(14-22(27)28)13-19(21)23-18-9-5-6-10-20(18)26(24(29)25-23)15-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,27,28)
InChIKeyADERDZOXBXJGOG-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.75
Rot. Bonds6

About 2-[3-(1-benzyl-2-oxoquinazolin-4-yl)-4-methoxyphenyl]acetic acid

2-[3-(1-benzyl-2-oxoquinazolin-4-yl)-4-methoxyphenyl]acetic acid (PubChem CID 70687356) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-[3-(1-benzyl-2-oxoquinazolin-4-yl)-4-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(1-benzyl-2-oxoquinazolin-4-yl)-4-methoxyphenyl]acetic acid
PubChem CID70687356
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name2-[3-(1-benzyl-2-oxoquinazolin-4-yl)-4-methoxyphenyl]acetic acid
SMILESCOc1ccc(CC(=O)O)cc1-c1nc(=O)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C24H20N2O4/c1-30-21-12-11-17(14-22(27)28)13-19(21)23-18-9-5-6-10-20(18)26(24(29)25-23)15-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,27,28)
InChIKeyADERDZOXBXJGOG-UHFFFAOYSA-N
XLogP3.75
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1-benzyl-2-oxo-3H-1,4-benzodiazepin-5-yl)-4-methoxyphenyl]acetic acid
CID 59644708
2-[3-[1-[(4-fluorophenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-5-yl]-4-methoxyphenyl]acetic acid
CID 53495002
2-[3-[1-[(3-chlorophenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-5-yl]-4-methoxyphenyl]acetic acid
CID 70689410
2-[4-methoxy-3-[1-[(4-methylphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-5-yl]phenyl]acetic acid
CID 70689411
2-[4-methoxy-3-[2-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]-3H-1,4-benzodiazepin-5-yl]phenyl]acetic acid
CID 70691517
2-[3-[1-[(4-chlorophenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-5-yl]-4-methoxyphenyl]acetic acid
CID 70693611
2-[4-methoxy-3-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,4-benzodiazepin-5-yl]phenyl]acetic acid
CID 70693612
2-[3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-5-yl]-4-methoxyphenyl]acetic acid
CID 70695720
2-[3-[1-[(2,4-dichlorophenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-5-yl]-4-methoxyphenyl]acetic acid
CID 70695721
4-(1-Isopropyl-6-methoxy-2-oxo-1,2,3,4-tetrahydro-quinazolin-4-yl)-benzoic acid
CID 45140001
5-[(3S)-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]pentanoic acid
CID 137647325
2-[(3R,4S)-3-[(6-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-1-(phenylcarbamoyl)piperidin-4-yl]acetic acid
CID 51136673

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-benzyl-2-oxoquinazolin-4-yl)-4-methoxyphenyl]acetic acid?
The IUPAC name of 2-[3-(1-benzyl-2-oxoquinazolin-4-yl)-4-methoxyphenyl]acetic acid (CID 70687356) is 2-[3-(1-benzyl-2-oxoquinazolin-4-yl)-4-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-[3-(1-benzyl-2-oxoquinazolin-4-yl)-4-methoxyphenyl]acetic acid?
The canonical SMILES for 2-[3-(1-benzyl-2-oxoquinazolin-4-yl)-4-methoxyphenyl]acetic acid is COc1ccc(CC(=O)O)cc1-c1nc(=O)n(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 2-[3-(1-benzyl-2-oxoquinazolin-4-yl)-4-methoxyphenyl]acetic acid?
The InChIKey is ADERDZOXBXJGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-30-21-12-11-17(14-22(27)28)13-19(21)23-18-9-5-6-10-20(18)26(24(29)25-23)15-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,27,28).
What are the key properties of 2-[3-(1-benzyl-2-oxoquinazolin-4-yl)-4-methoxyphenyl]acetic acid?
2-[3-(1-benzyl-2-oxoquinazolin-4-yl)-4-methoxyphenyl]acetic acid has a molecular weight of 400.43 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-benzyl-2-oxoquinazolin-4-yl)-4-methoxyphenyl]acetic acid is sourced from PubChem (CID 70687356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).