3-(4-oxo-8-phenylmethoxy-3H-quinazolin-2-yl)propanoic acid

C18H16N2O4 — CID 177042268

IUPAC3-(4-oxo-8-phenylmethoxy-3H-quinazolin-2-yl)propanoic acid
SMILESO=C(O)CCc1nc2c(OCc3ccccc3)cccc2c(=O)[nH]1
InChIInChI=1S/C18H16N2O4/c21-16(22)10-9-15-19-17-13(18(23)20-15)7-4-8-14(17)24-11-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,21,22)(H,19,20,23)
InChIKeySRUBGGFALKFRLB-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.52
Rot. Bonds6

About 3-(4-oxo-8-phenylmethoxy-3H-quinazolin-2-yl)propanoic acid

3-(4-oxo-8-phenylmethoxy-3H-quinazolin-2-yl)propanoic acid (PubChem CID 177042268) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-(4-oxo-8-phenylmethoxy-3H-quinazolin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-oxo-8-phenylmethoxy-3H-quinazolin-2-yl)propanoic acid
PubChem CID177042268
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name3-(4-oxo-8-phenylmethoxy-3H-quinazolin-2-yl)propanoic acid
SMILESO=C(O)CCc1nc2c(OCc3ccccc3)cccc2c(=O)[nH]1
InChIInChI=1S/C18H16N2O4/c21-16(22)10-9-15-19-17-13(18(23)20-15)7-4-8-14(17)24-11-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,21,22)(H,19,20,23)
InChIKeySRUBGGFALKFRLB-UHFFFAOYSA-N
XLogP2.52
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-8-phenylmethoxy-3H-quinazolin-4-one
CID 177042510
4,8-bis(phenylmethoxy)quinoline-2-carboxamide
CID 71567698
3-(8-methoxy-4-oxo-3H-quinazolin-2-yl)propanal
CID 177042597
3-iodo-7-phenylmethoxy-2H-indazole
CID 46835458
S-[(8-methoxy-4-oxo-3H-quinazolin-2-yl)methyl] ethanethioate
CID 138745984
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
(2,6-dimethylphenyl) 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135809791
N-[(3-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137292595
8-methyl-2-[(2-nitrophenoxy)methyl]-3H-quinazolin-4-one
CID 135823962
[(1S)-2-oxo-1,2-diphenylethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831579
4-benzyl-3-ethynyl-8-phenylmethoxyquinoline-2-carboxylic acid
CID 87938064
2-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551636

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-8-phenylmethoxy-3H-quinazolin-2-yl)propanoic acid?
The IUPAC name of 3-(4-oxo-8-phenylmethoxy-3H-quinazolin-2-yl)propanoic acid (CID 177042268) is 3-(4-oxo-8-phenylmethoxy-3H-quinazolin-2-yl)propanoic acid.
What is the SMILES notation for 3-(4-oxo-8-phenylmethoxy-3H-quinazolin-2-yl)propanoic acid?
The canonical SMILES for 3-(4-oxo-8-phenylmethoxy-3H-quinazolin-2-yl)propanoic acid is O=C(O)CCc1nc2c(OCc3ccccc3)cccc2c(=O)[nH]1.
What is the InChIKey of 3-(4-oxo-8-phenylmethoxy-3H-quinazolin-2-yl)propanoic acid?
The InChIKey is SRUBGGFALKFRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c21-16(22)10-9-15-19-17-13(18(23)20-15)7-4-8-14(17)24-11-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,21,22)(H,19,20,23).
What are the key properties of 3-(4-oxo-8-phenylmethoxy-3H-quinazolin-2-yl)propanoic acid?
3-(4-oxo-8-phenylmethoxy-3H-quinazolin-2-yl)propanoic acid has a molecular weight of 324.34 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-8-phenylmethoxy-3H-quinazolin-2-yl)propanoic acid is sourced from PubChem (CID 177042268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).