4-(4,4-difluoroazepan-1-yl)quinoline-6-carboxamide

C16H17F2N3O — CID 177101521

IUPAC4-(4,4-difluoroazepan-1-yl)quinoline-6-carboxamide
SMILESNC(=O)c1ccc2nccc(N3CCCC(F)(F)CC3)c2c1
InChIInChI=1S/C16H17F2N3O/c17-16(18)5-1-8-21(9-6-16)14-4-7-20-13-3-2-11(15(19)22)10-12(13)14/h2-4,7,10H,1,5-6,8-9H2,(H2,19,22)
InChIKeyZIUDYRDLALSYQT-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.96
Rot. Bonds2

About 4-(4,4-difluoroazepan-1-yl)quinoline-6-carboxamide

4-(4,4-difluoroazepan-1-yl)quinoline-6-carboxamide (PubChem CID 177101521) has the molecular formula C16H17F2N3O and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-(4,4-difluoroazepan-1-yl)quinoline-6-carboxamide.

Molecular Properties

Compound Name4-(4,4-difluoroazepan-1-yl)quinoline-6-carboxamide
PubChem CID177101521
Molecular FormulaC16H17F2N3O
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name4-(4,4-difluoroazepan-1-yl)quinoline-6-carboxamide
SMILESNC(=O)c1ccc2nccc(N3CCCC(F)(F)CC3)c2c1
InChIInChI=1S/C16H17F2N3O/c17-16(18)5-1-8-21(9-6-16)14-4-7-20-13-3-2-11(15(19)22)10-12(13)14/h2-4,7,10H,1,5-6,8-9H2,(H2,19,22)
InChIKeyZIUDYRDLALSYQT-UHFFFAOYSA-N
XLogP2.96
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-yl)-6-methylquinoline
CID 133466822
4-piperidin-1-ylquinolin-6-amine
CID 105484963
6-fluoro-4-piperidin-1-ylquinoline
CID 142561442
4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-6-carboxylic acid
CID 66978033
2-[1-(6-fluoroquinolin-4-yl)-4-methylpiperidin-4-yl]-N-(1-methylcyclohexyl)acetamide
CID 121318090
4-(azepan-1-yl)-6-chloroquinoline
CID 110434360
3-amino-4-(4,4-dimethylazepan-1-yl)benzamide
CID 65283334
(3,4-dimethoxyphenyl)-[4-(6-methylquinolin-4-yl)piperazin-1-yl]methanone
CID 133468132
4-(6,7-dimethoxyquinolin-4-yl)-1,4-diazepane-1-carboxamide
CID 167970486
4-pyrrolidin-1-ylisoquinoline-6-carboxamide
CID 58495819
4-amino-3-pyrrolidin-1-ylbenzamide
CID 63355693
[1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133467900

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoroazepan-1-yl)quinoline-6-carboxamide?
The IUPAC name of 4-(4,4-difluoroazepan-1-yl)quinoline-6-carboxamide (CID 177101521) is 4-(4,4-difluoroazepan-1-yl)quinoline-6-carboxamide.
What is the SMILES notation for 4-(4,4-difluoroazepan-1-yl)quinoline-6-carboxamide?
The canonical SMILES for 4-(4,4-difluoroazepan-1-yl)quinoline-6-carboxamide is NC(=O)c1ccc2nccc(N3CCCC(F)(F)CC3)c2c1.
What is the InChIKey of 4-(4,4-difluoroazepan-1-yl)quinoline-6-carboxamide?
The InChIKey is ZIUDYRDLALSYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O/c17-16(18)5-1-8-21(9-6-16)14-4-7-20-13-3-2-11(15(19)22)10-12(13)14/h2-4,7,10H,1,5-6,8-9H2,(H2,19,22).
What are the key properties of 4-(4,4-difluoroazepan-1-yl)quinoline-6-carboxamide?
4-(4,4-difluoroazepan-1-yl)quinoline-6-carboxamide has a molecular weight of 305.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoroazepan-1-yl)quinoline-6-carboxamide is sourced from PubChem (CID 177101521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).