8-acetamido-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoline-4-carboxamide

C20H18FN3O2 — CID 95097428

IUPAC8-acetamido-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoline-4-carboxamide
SMILESCC(=O)Nc1cccc2c(C(=O)N[C@H](C)c3ccc(F)cc3)ccnc12
InChIInChI=1S/C20H18FN3O2/c1-12(14-6-8-15(21)9-7-14)23-20(26)17-10-11-22-19-16(17)4-3-5-18(19)24-13(2)25/h3-12H,1-2H3,(H,23,26)(H,24,25)/t12-/m1/s1
InChIKeyVLVHFCQKEVPFLW-GFCCVEGCSA-N
MW351.38 g/mol
LogP3.82
Rot. Bonds4

About 8-acetamido-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoline-4-carboxamide

8-acetamido-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoline-4-carboxamide (PubChem CID 95097428) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 8-acetamido-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name8-acetamido-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoline-4-carboxamide
PubChem CID95097428
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name8-acetamido-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoline-4-carboxamide
SMILESCC(=O)Nc1cccc2c(C(=O)N[C@H](C)c3ccc(F)cc3)ccnc12
InChIInChI=1S/C20H18FN3O2/c1-12(14-6-8-15(21)9-7-14)23-20(26)17-10-11-22-19-16(17)4-3-5-18(19)24-13(2)25/h3-12H,1-2H3,(H,23,26)(H,24,25)/t12-/m1/s1
InChIKeyVLVHFCQKEVPFLW-GFCCVEGCSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-acetamido-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 95097426
8-acetamido-N-(3-methylbutyl)quinoline-4-carboxamide
CID 53149882
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 94338730
2-N,6-N-bis[1-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 46430353
2-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 38915865
3-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-hydrazinylbenzamide
CID 62660456
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 30463952
2-bromo-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4782933
8-[(2,6-difluorophenyl)methoxy]-N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoline-4-carboxamide
CID 130318469
N-[1-(4-ethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 134010257
2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 26242811
2-methylsulfanyl-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 25486041

Frequently Asked Questions

What is the IUPAC name of 8-acetamido-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 8-acetamido-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoline-4-carboxamide (CID 95097428) is 8-acetamido-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 8-acetamido-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 8-acetamido-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoline-4-carboxamide is CC(=O)Nc1cccc2c(C(=O)N[C@H](C)c3ccc(F)cc3)ccnc12.
What is the InChIKey of 8-acetamido-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoline-4-carboxamide?
The InChIKey is VLVHFCQKEVPFLW-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-12(14-6-8-15(21)9-7-14)23-20(26)17-10-11-22-19-16(17)4-3-5-18(19)24-13(2)25/h3-12H,1-2H3,(H,23,26)(H,24,25)/t12-/m1/s1.
What are the key properties of 8-acetamido-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoline-4-carboxamide?
8-acetamido-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoline-4-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetamido-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 95097428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).