(3-fluoro-4-methoxyphenyl)methyl 2-methylquinoline-4-carboxylate

C19H16FNO3 — CID 2633527

IUPAC(3-fluoro-4-methoxyphenyl)methyl 2-methylquinoline-4-carboxylate
SMILESCOc1ccc(COC(=O)c2cc(C)nc3ccccc23)cc1F
InChIInChI=1S/C19H16FNO3/c1-12-9-15(14-5-3-4-6-17(14)21-12)19(22)24-11-13-7-8-18(23-2)16(20)10-13/h3-10H,11H2,1-2H3
InChIKeyBLCIAHZJEPFNSJ-UHFFFAOYSA-N
MW325.34 g/mol
LogP4.05
Rot. Bonds4

About (3-fluoro-4-methoxyphenyl)methyl 2-methylquinoline-4-carboxylate

(3-fluoro-4-methoxyphenyl)methyl 2-methylquinoline-4-carboxylate (PubChem CID 2633527) has the molecular formula C19H16FNO3 and a molecular weight of 325.34 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)methyl 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)methyl 2-methylquinoline-4-carboxylate
PubChem CID2633527
Molecular FormulaC19H16FNO3
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC Name(3-fluoro-4-methoxyphenyl)methyl 2-methylquinoline-4-carboxylate
SMILESCOc1ccc(COC(=O)c2cc(C)nc3ccccc23)cc1F
InChIInChI=1S/C19H16FNO3/c1-12-9-15(14-5-3-4-6-17(14)21-12)19(22)24-11-13-7-8-18(23-2)16(20)10-13/h3-10H,11H2,1-2H3
InChIKeyBLCIAHZJEPFNSJ-UHFFFAOYSA-N
XLogP4.05
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 2-methylquinoline-4-carboxylate?
The IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 2-methylquinoline-4-carboxylate (CID 2633527) is (3-fluoro-4-methoxyphenyl)methyl 2-methylquinoline-4-carboxylate.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)methyl 2-methylquinoline-4-carboxylate?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)methyl 2-methylquinoline-4-carboxylate is COc1ccc(COC(=O)c2cc(C)nc3ccccc23)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)methyl 2-methylquinoline-4-carboxylate?
The InChIKey is BLCIAHZJEPFNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3/c1-12-9-15(14-5-3-4-6-17(14)21-12)19(22)24-11-13-7-8-18(23-2)16(20)10-13/h3-10H,11H2,1-2H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)methyl 2-methylquinoline-4-carboxylate?
(3-fluoro-4-methoxyphenyl)methyl 2-methylquinoline-4-carboxylate has a molecular weight of 325.34 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)methyl 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 2633527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).