2-[4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]phenyl]acetic acid

C26H22FN3O6 — CID 135982278

IUPAC2-[4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]phenyl]acetic acid
SMILESCOc1cccc(CNC(=O)c2nc3ccc(F)c(OCc4ccc(CC(=O)O)cc4)c3c(=O)[nH]2)c1
InChIInChI=1S/C26H22FN3O6/c1-35-18-4-2-3-17(11-18)13-28-26(34)24-29-20-10-9-19(27)23(22(20)25(33)30-24)36-14-16-7-5-15(6-8-16)12-21(31)32/h2-11H,12-14H2,1H3,(H,28,34)(H,31,32)(H,29,30,33)
InChIKeyZWJRWZUXUOCTRT-UHFFFAOYSA-N
MW491.48 g/mol
LogP3.21
Rot. Bonds9

About 2-[4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]phenyl]acetic acid

2-[4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]phenyl]acetic acid (PubChem CID 135982278) has the molecular formula C26H22FN3O6 and a molecular weight of 491.48 g/mol. Its IUPAC name is 2-[4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]phenyl]acetic acid
PubChem CID135982278
Molecular FormulaC26H22FN3O6
Molecular Weight491.48 g/mol
Exact Mass491.15
IUPAC Name2-[4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]phenyl]acetic acid
SMILESCOc1cccc(CNC(=O)c2nc3ccc(F)c(OCc4ccc(CC(=O)O)cc4)c3c(=O)[nH]2)c1
InChIInChI=1S/C26H22FN3O6/c1-35-18-4-2-3-17(11-18)13-28-26(34)24-29-20-10-9-19(27)23(22(20)25(33)30-24)36-14-16-7-5-15(6-8-16)12-21(31)32/h2-11H,12-14H2,1H3,(H,28,34)(H,31,32)(H,29,30,33)
InChIKeyZWJRWZUXUOCTRT-UHFFFAOYSA-N
XLogP3.21
TPSA130.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.48
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium;4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]benzoic acid;hydride
CID 173151383
6-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxo-5-(2-phenylethoxy)-3H-quinazoline-2-carboxamide
CID 135995995
2-[4-[[2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-5-yl]methoxy]phenyl]acetic acid
CID 59652092
5-[2-(4-acetylpiperazin-2-yl)ethoxy]-6-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135876129
6-fluoro-5-(2-fluoroethoxy)-N-[(4-fluoro-3-methylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 170902479
ethyl 4-[[2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]methoxymethyl]benzoate
CID 135982350
N-[(3-methoxyphenyl)methyl]-4-oxo-5-[(2-phenylacetyl)amino]-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59652324
5,6-dibromo-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59652349
N-[(3-methoxyphenyl)methyl]-5-[[4-(methylcarbamoyl)phenyl]methoxymethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59652260
N-[(3-methoxyphenyl)methyl]-6-methylidene-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 136998777
6-fluoro-N-[(4-fluoro-3-methoxyphenyl)methyl]-5-[2-[5-(methylsulfonylmethyl)-1,4-dioxan-2-yl]ethoxy]-4-oxo-3H-quinazoline-2-carboxamide
CID 135897785
N-[(3-chlorophenyl)methyl]-6-fluoro-5-[2-[5-(hydroxymethyl)oxan-2-yl]ethoxy]-4-oxo-3H-quinazoline-2-carboxamide
CID 135897742

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]phenyl]acetic acid (CID 135982278) is 2-[4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]phenyl]acetic acid is COc1cccc(CNC(=O)c2nc3ccc(F)c(OCc4ccc(CC(=O)O)cc4)c3c(=O)[nH]2)c1.
What is the InChIKey of 2-[4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]phenyl]acetic acid?
The InChIKey is ZWJRWZUXUOCTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O6/c1-35-18-4-2-3-17(11-18)13-28-26(34)24-29-20-10-9-19(27)23(22(20)25(33)30-24)36-14-16-7-5-15(6-8-16)12-21(31)32/h2-11H,12-14H2,1H3,(H,28,34)(H,31,32)(H,29,30,33).
What are the key properties of 2-[4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]phenyl]acetic acid?
2-[4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]phenyl]acetic acid has a molecular weight of 491.48 g/mol, XLogP of 3.21, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]phenyl]acetic acid is sourced from PubChem (CID 135982278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).