[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate

C21H19FN2O4 — CID 18128509

IUPAC[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate
SMILESCOc1cccc(CNC(=O)COC(=O)c2cc3ccc(F)cc3nc2C)c1
InChIInChI=1S/C21H19FN2O4/c1-13-18(9-15-6-7-16(22)10-19(15)24-13)21(26)28-12-20(25)23-11-14-4-3-5-17(8-14)27-2/h3-10H,11-12H2,1-2H3,(H,23,25)
InChIKeyURZUPQYRWJBLSA-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.16
Rot. Bonds6

About [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate

[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate (PubChem CID 18128509) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate.

Molecular Properties

Compound Name[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate
PubChem CID18128509
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Name[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate
SMILESCOc1cccc(CNC(=O)COC(=O)c2cc3ccc(F)cc3nc2C)c1
InChIInChI=1S/C21H19FN2O4/c1-13-18(9-15-6-7-16(22)10-19(15)24-13)21(26)28-12-20(25)23-11-14-4-3-5-17(8-14)27-2/h3-10H,11-12H2,1-2H3,(H,23,25)
InChIKeyURZUPQYRWJBLSA-UHFFFAOYSA-N
XLogP3.16
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 18078024
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] benzoate
CID 7514894
7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide
CID 17484983
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methoxy-2-methylbenzoate
CID 46924977
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate
CID 30343934
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492935
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 7471723
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-hydroxybenzoate
CID 7776937
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 7650921
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate
CID 55471451
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate?
The IUPAC name of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate (CID 18128509) is [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate.
What is the SMILES notation for [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate?
The canonical SMILES for [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate is COc1cccc(CNC(=O)COC(=O)c2cc3ccc(F)cc3nc2C)c1.
What is the InChIKey of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate?
The InChIKey is URZUPQYRWJBLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4/c1-13-18(9-15-6-7-16(22)10-19(15)24-13)21(26)28-12-20(25)23-11-14-4-3-5-17(8-14)27-2/h3-10H,11-12H2,1-2H3,(H,23,25).
What are the key properties of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate?
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate has a molecular weight of 382.39 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate is sourced from PubChem (CID 18128509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).