N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]quinoline-2-carboxamide

C20H19FN2O2 — CID 18115688

IUPACN-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]quinoline-2-carboxamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C20H19FN2O2/c1-3-23(13-14-8-11-19(25-2)16(21)12-14)20(24)18-10-9-15-6-4-5-7-17(15)22-18/h4-12H,3,13H2,1-2H3
InChIKeyZXHARTACZPPGQL-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.04
Rot. Bonds5

About N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]quinoline-2-carboxamide

N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]quinoline-2-carboxamide (PubChem CID 18115688) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]quinoline-2-carboxamide
PubChem CID18115688
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC NameN-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]quinoline-2-carboxamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C20H19FN2O2/c1-3-23(13-14-8-11-19(25-2)16(21)12-14)20(24)18-10-9-15-6-4-5-7-17(15)22-18/h4-12H,3,13H2,1-2H3
InChIKeyZXHARTACZPPGQL-UHFFFAOYSA-N
XLogP4.04
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9462623
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 8834218
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]furan-2-carboxamide
CID 60652216
2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 60712583
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylquinoline-2-carboxamide
CID 9482645
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 18192659
2-amino-N,2-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
CID 79814219
4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 18115738
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(methylamino)propanamide
CID 55096948
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 62847075
2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]quinoline
CID 112781074
(3-fluoro-4-methoxyphenyl)methyl (E)-3-quinolin-2-ylprop-2-enoate
CID 2512219

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]quinoline-2-carboxamide?
The IUPAC name of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]quinoline-2-carboxamide (CID 18115688) is N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]quinoline-2-carboxamide?
The canonical SMILES for N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]quinoline-2-carboxamide is CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]quinoline-2-carboxamide?
The InChIKey is ZXHARTACZPPGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-3-23(13-14-8-11-19(25-2)16(21)12-14)20(24)18-10-9-15-6-4-5-7-17(15)22-18/h4-12H,3,13H2,1-2H3.
What are the key properties of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]quinoline-2-carboxamide?
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]quinoline-2-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 18115688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).