7-fluoro-N,2-dimethyl-N-[(1S)-1-pyridin-3-ylpentyl]quinoline-4-carboxamide

C22H24FN3O — CID 96580826

IUPAC7-fluoro-N,2-dimethyl-N-[(1S)-1-pyridin-3-ylpentyl]quinoline-4-carboxamide
SMILESCCCC[C@@H](c1cccnc1)N(C)C(=O)c1cc(C)nc2cc(F)ccc12
InChIInChI=1S/C22H24FN3O/c1-4-5-8-21(16-7-6-11-24-14-16)26(3)22(27)19-12-15(2)25-20-13-17(23)9-10-18(19)20/h6-7,9-14,21H,4-5,8H2,1-3H3/t21-/m0/s1
InChIKeyPASCUZZJGWYYMY-NRFANRHFSA-N
MW365.45 g/mol
LogP5.08
Rot. Bonds6

About 7-fluoro-N,2-dimethyl-N-[(1S)-1-pyridin-3-ylpentyl]quinoline-4-carboxamide

7-fluoro-N,2-dimethyl-N-[(1S)-1-pyridin-3-ylpentyl]quinoline-4-carboxamide (PubChem CID 96580826) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is 7-fluoro-N,2-dimethyl-N-[(1S)-1-pyridin-3-ylpentyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N,2-dimethyl-N-[(1S)-1-pyridin-3-ylpentyl]quinoline-4-carboxamide
PubChem CID96580826
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name7-fluoro-N,2-dimethyl-N-[(1S)-1-pyridin-3-ylpentyl]quinoline-4-carboxamide
SMILESCCCC[C@@H](c1cccnc1)N(C)C(=O)c1cc(C)nc2cc(F)ccc12
InChIInChI=1S/C22H24FN3O/c1-4-5-8-21(16-7-6-11-24-14-16)26(3)22(27)19-12-15(2)25-20-13-17(23)9-10-18(19)20/h6-7,9-14,21H,4-5,8H2,1-3H3/t21-/m0/s1
InChIKeyPASCUZZJGWYYMY-NRFANRHFSA-N
XLogP5.08
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.45
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
CID 86858306
3-[(2,5-difluorophenyl)methyl]-1-methyl-1-(1-pyridin-3-ylpentyl)urea
CID 119065675
6-methoxy-N,3-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]-1-benzofuran-2-carboxamide
CID 97113120
4-(difluoromethoxy)-N-methyl-N-(1-pyridin-3-ylpentyl)benzamide
CID 131892363
N,1,3-trimethyl-2,6-dioxo-N-[(1S)-1-pyridin-3-ylpentyl]pyrimidine-4-carboxamide
CID 95144359
3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-[(1R)-1-pyridin-3-ylpentyl]benzamide
CID 125156737
N-methyl-N-[2-[methyl(1-pyridin-3-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 131908751
6-chloro-N,1-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]indole-2-carboxamide
CID 99935099
N-ethyl-7-fluoro-N-(2-hydroxyethyl)-2-methylquinoline-4-carboxamide
CID 78860252
1-methyl-3-(oxan-4-yl)-1-(1-pyridin-3-ylpentyl)urea
CID 119069380
1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylpentyl)urea
CID 122566085
7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylquinoline-4-carboxamide
CID 110003775

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N,2-dimethyl-N-[(1S)-1-pyridin-3-ylpentyl]quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N,2-dimethyl-N-[(1S)-1-pyridin-3-ylpentyl]quinoline-4-carboxamide (CID 96580826) is 7-fluoro-N,2-dimethyl-N-[(1S)-1-pyridin-3-ylpentyl]quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N,2-dimethyl-N-[(1S)-1-pyridin-3-ylpentyl]quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N,2-dimethyl-N-[(1S)-1-pyridin-3-ylpentyl]quinoline-4-carboxamide is CCCC[C@@H](c1cccnc1)N(C)C(=O)c1cc(C)nc2cc(F)ccc12.
What is the InChIKey of 7-fluoro-N,2-dimethyl-N-[(1S)-1-pyridin-3-ylpentyl]quinoline-4-carboxamide?
The InChIKey is PASCUZZJGWYYMY-NRFANRHFSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-4-5-8-21(16-7-6-11-24-14-16)26(3)22(27)19-12-15(2)25-20-13-17(23)9-10-18(19)20/h6-7,9-14,21H,4-5,8H2,1-3H3/t21-/m0/s1.
What are the key properties of 7-fluoro-N,2-dimethyl-N-[(1S)-1-pyridin-3-ylpentyl]quinoline-4-carboxamide?
7-fluoro-N,2-dimethyl-N-[(1S)-1-pyridin-3-ylpentyl]quinoline-4-carboxamide has a molecular weight of 365.45 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N,2-dimethyl-N-[(1S)-1-pyridin-3-ylpentyl]quinoline-4-carboxamide is sourced from PubChem (CID 96580826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).