N-[(3-acetamidophenyl)methyl]-7-fluoro-2-methylquinoline-4-carboxamide

C20H18FN3O2 — CID 39575257

IUPACN-[(3-acetamidophenyl)methyl]-7-fluoro-2-methylquinoline-4-carboxamide
SMILESCC(=O)Nc1cccc(CNC(=O)c2cc(C)nc3cc(F)ccc23)c1
InChIInChI=1S/C20H18FN3O2/c1-12-8-18(17-7-6-15(21)10-19(17)23-12)20(26)22-11-14-4-3-5-16(9-14)24-13(2)25/h3-10H,11H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyBCUCAOGHGCXBQY-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.57
Rot. Bonds4

About N-[(3-acetamidophenyl)methyl]-7-fluoro-2-methylquinoline-4-carboxamide

N-[(3-acetamidophenyl)methyl]-7-fluoro-2-methylquinoline-4-carboxamide (PubChem CID 39575257) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)methyl]-7-fluoro-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)methyl]-7-fluoro-2-methylquinoline-4-carboxamide
PubChem CID39575257
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-[(3-acetamidophenyl)methyl]-7-fluoro-2-methylquinoline-4-carboxamide
SMILESCC(=O)Nc1cccc(CNC(=O)c2cc(C)nc3cc(F)ccc23)c1
InChIInChI=1S/C20H18FN3O2/c1-12-8-18(17-7-6-15(21)10-19(17)23-12)20(26)22-11-14-4-3-5-16(9-14)24-13(2)25/h3-10H,11H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyBCUCAOGHGCXBQY-UHFFFAOYSA-N
XLogP3.57
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
CID 46422715
N-[3-(1,3-dithiolan-2-yl)phenyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 55607065
7-fluoro-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
CID 131917230
2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide
CID 34167121
N-[(3-acetamidophenyl)methyl]-2-ethoxy-3-fluorobenzamide
CID 71995172
7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylquinoline-4-carboxamide
CID 111486130
6-fluoro-N-(3-hydroxyphenyl)-2-methylquinoline-4-carboxamide
CID 108789542
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 46686688
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 46422325
N-[(3-bromophenyl)methyl]-2-methyl-7-(2-methylpropanoylamino)quinoline-5-carboxamide
CID 50842284
N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-7-(2-methylpropanoylamino)quinoline-5-carboxamide
CID 50842217
N-[(3-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 45495918

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)methyl]-7-fluoro-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[(3-acetamidophenyl)methyl]-7-fluoro-2-methylquinoline-4-carboxamide (CID 39575257) is N-[(3-acetamidophenyl)methyl]-7-fluoro-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[(3-acetamidophenyl)methyl]-7-fluoro-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[(3-acetamidophenyl)methyl]-7-fluoro-2-methylquinoline-4-carboxamide is CC(=O)Nc1cccc(CNC(=O)c2cc(C)nc3cc(F)ccc23)c1.
What is the InChIKey of N-[(3-acetamidophenyl)methyl]-7-fluoro-2-methylquinoline-4-carboxamide?
The InChIKey is BCUCAOGHGCXBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-12-8-18(17-7-6-15(21)10-19(17)23-12)20(26)22-11-14-4-3-5-16(9-14)24-13(2)25/h3-10H,11H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of N-[(3-acetamidophenyl)methyl]-7-fluoro-2-methylquinoline-4-carboxamide?
N-[(3-acetamidophenyl)methyl]-7-fluoro-2-methylquinoline-4-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)methyl]-7-fluoro-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 39575257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).