4-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-3-phenylbutanamide

C22H25FN2O — CID 3569162

IUPAC4-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-3-phenylbutanamide
SMILESO=C(CC(CF)c1ccccc1)Nc1c2c(nc3c1CCC3)CCCC2
InChIInChI=1S/C22H25FN2O/c23-14-16(15-7-2-1-3-8-15)13-21(26)25-22-17-9-4-5-11-19(17)24-20-12-6-10-18(20)22/h1-3,7-8,16H,4-6,9-14H2,(H,24,25,26)
InChIKeyHWFBIXHOCUVVOK-UHFFFAOYSA-N
MW352.45 g/mol
LogP4.53
Rot. Bonds5

About 4-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-3-phenylbutanamide

4-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-3-phenylbutanamide (PubChem CID 3569162) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is 4-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-3-phenylbutanamide.

Molecular Properties

Compound Name4-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-3-phenylbutanamide
PubChem CID3569162
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name4-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-3-phenylbutanamide
SMILESO=C(CC(CF)c1ccccc1)Nc1c2c(nc3c1CCC3)CCCC2
InChIInChI=1S/C22H25FN2O/c23-14-16(15-7-2-1-3-8-15)13-21(26)25-22-17-9-4-5-11-19(17)24-20-12-6-10-18(20)22/h1-3,7-8,16H,4-6,9-14H2,(H,24,25,26)
InChIKeyHWFBIXHOCUVVOK-UHFFFAOYSA-N
XLogP4.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-3-phenylbutanamide with MolForge

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Related Compounds

N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyridin-1-ium-1-ylacetamide chloride
CID 146048636
2-amino-N-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-yl)acetamide;oxalic acid
CID 126477711
2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetamide
CID 3905231
[2-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-ylamino)-2-oxoethyl]-dimethylazanium
CID 3489078
3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 2931255
N-(1,2,3,4-tetrahydroacridin-9-yl)pentanamide
CID 14880986
[2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)-2-oxoethyl]-diethylazanium
CID 7046168
N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(dimethylamino)acetamide;oxalic acid
CID 44784201
N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyrrolidin-1-ylacetamide;oxalic acid
CID 6456059
(4R)-5-fluoro-4-phenylpentan-2-one
CID 101477163
2-(2-oxopyrrolidin-1-yl)-N-(1,2,3,4-tetrahydroacridin-9-yl)acetamide
CID 3078989
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide;oxalic acid
CID 2855007

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-3-phenylbutanamide?
The IUPAC name of 4-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-3-phenylbutanamide (CID 3569162) is 4-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-3-phenylbutanamide.
What is the SMILES notation for 4-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-3-phenylbutanamide?
The canonical SMILES for 4-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-3-phenylbutanamide is O=C(CC(CF)c1ccccc1)Nc1c2c(nc3c1CCC3)CCCC2.
What is the InChIKey of 4-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-3-phenylbutanamide?
The InChIKey is HWFBIXHOCUVVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c23-14-16(15-7-2-1-3-8-15)13-21(26)25-22-17-9-4-5-11-19(17)24-20-12-6-10-18(20)22/h1-3,7-8,16H,4-6,9-14H2,(H,24,25,26).
What are the key properties of 4-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-3-phenylbutanamide?
4-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-3-phenylbutanamide has a molecular weight of 352.45 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-3-phenylbutanamide is sourced from PubChem (CID 3569162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).