5-[(E)-2-(7-fluoro-6-methoxy-4-oxo-3H-quinazolin-2-yl)ethenyl]-2-hydroxybenzoic acid

C18H13FN2O5 — CID 166373477

IUPAC5-[(E)-2-(7-fluoro-6-methoxy-4-oxo-3H-quinazolin-2-yl)ethenyl]-2-hydroxybenzoic acid
SMILESCOc1cc2c(=O)[nH]c(/C=C/c3ccc(O)c(C(=O)O)c3)nc2cc1F
InChIInChI=1S/C18H13FN2O5/c1-26-15-7-10-13(8-12(15)19)20-16(21-17(10)23)5-3-9-2-4-14(22)11(6-9)18(24)25/h2-8,22H,1H3,(H,24,25)(H,20,21,23)/b5-3+
InChIKeyBSLFMUXOPBDPST-HWKANZROSA-N
MW356.31 g/mol
LogP2.64
Rot. Bonds4

About 5-[(E)-2-(7-fluoro-6-methoxy-4-oxo-3H-quinazolin-2-yl)ethenyl]-2-hydroxybenzoic acid

5-[(E)-2-(7-fluoro-6-methoxy-4-oxo-3H-quinazolin-2-yl)ethenyl]-2-hydroxybenzoic acid (PubChem CID 166373477) has the molecular formula C18H13FN2O5 and a molecular weight of 356.31 g/mol. Its IUPAC name is 5-[(E)-2-(7-fluoro-6-methoxy-4-oxo-3H-quinazolin-2-yl)ethenyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(E)-2-(7-fluoro-6-methoxy-4-oxo-3H-quinazolin-2-yl)ethenyl]-2-hydroxybenzoic acid
PubChem CID166373477
Molecular FormulaC18H13FN2O5
Molecular Weight356.31 g/mol
Exact Mass356.08
IUPAC Name5-[(E)-2-(7-fluoro-6-methoxy-4-oxo-3H-quinazolin-2-yl)ethenyl]-2-hydroxybenzoic acid
SMILESCOc1cc2c(=O)[nH]c(/C=C/c3ccc(O)c(C(=O)O)c3)nc2cc1F
InChIInChI=1S/C18H13FN2O5/c1-26-15-7-10-13(8-12(15)19)20-16(21-17(10)23)5-3-9-2-4-14(22)11(6-9)18(24)25/h2-8,22H,1H3,(H,24,25)(H,20,21,23)/b5-3+
InChIKeyBSLFMUXOPBDPST-HWKANZROSA-N
XLogP2.64
TPSA112.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[(E)-2-(7-fluoro-6-methoxy-4-oxo-3H-quinazolin-2-yl)ethenyl]-2-hydroxybenzoic acid with MolForge

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Related Compounds

2-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylic acid
CID 70419349
2-[(E)-2-(3,4-difluorophenyl)ethenyl]-3H-quinazolin-4-one
CID 136721364
2-[2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135413589
2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135676942
5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-hydroxybenzoic acid
CID 18991498
6-chloro-2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 137197704
2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3H-benzo[g]quinazolin-4-one
CID 136601982
2-[(E)-2-[4-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-1H-benzimidazole-4-carboxylic acid
CID 21293711
2-[2-(3,4-dimethoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylic acid;methanesulfonic acid
CID 173403529
2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135549186
2-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 4779971
2-hydroxy-5-(3-methoxy-3-oxoprop-1-enyl)benzoic acid
CID 66771929

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(7-fluoro-6-methoxy-4-oxo-3H-quinazolin-2-yl)ethenyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(E)-2-(7-fluoro-6-methoxy-4-oxo-3H-quinazolin-2-yl)ethenyl]-2-hydroxybenzoic acid (CID 166373477) is 5-[(E)-2-(7-fluoro-6-methoxy-4-oxo-3H-quinazolin-2-yl)ethenyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(E)-2-(7-fluoro-6-methoxy-4-oxo-3H-quinazolin-2-yl)ethenyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(E)-2-(7-fluoro-6-methoxy-4-oxo-3H-quinazolin-2-yl)ethenyl]-2-hydroxybenzoic acid is COc1cc2c(=O)[nH]c(/C=C/c3ccc(O)c(C(=O)O)c3)nc2cc1F.
What is the InChIKey of 5-[(E)-2-(7-fluoro-6-methoxy-4-oxo-3H-quinazolin-2-yl)ethenyl]-2-hydroxybenzoic acid?
The InChIKey is BSLFMUXOPBDPST-HWKANZROSA-N. The full InChI is InChI=1S/C18H13FN2O5/c1-26-15-7-10-13(8-12(15)19)20-16(21-17(10)23)5-3-9-2-4-14(22)11(6-9)18(24)25/h2-8,22H,1H3,(H,24,25)(H,20,21,23)/b5-3+.
What are the key properties of 5-[(E)-2-(7-fluoro-6-methoxy-4-oxo-3H-quinazolin-2-yl)ethenyl]-2-hydroxybenzoic acid?
5-[(E)-2-(7-fluoro-6-methoxy-4-oxo-3H-quinazolin-2-yl)ethenyl]-2-hydroxybenzoic acid has a molecular weight of 356.31 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(7-fluoro-6-methoxy-4-oxo-3H-quinazolin-2-yl)ethenyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 166373477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).