N-butan-2-yl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

C17H19FN2O — CID 53016227

IUPACN-butan-2-yl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESCCC(C)NC(=O)c1c2c(nc3ccc(F)cc13)CCC2
InChIInChI=1S/C17H19FN2O/c1-3-10(2)19-17(21)16-12-5-4-6-14(12)20-15-8-7-11(18)9-13(15)16/h7-10H,3-6H2,1-2H3,(H,19,21)
InChIKeyJWNVGWRSVRWBOL-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.39
Rot. Bonds3

About N-butan-2-yl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

N-butan-2-yl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (PubChem CID 53016227) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-butan-2-yl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
PubChem CID53016227
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-butan-2-yl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESCCC(C)NC(=O)c1c2c(nc3ccc(F)cc13)CCC2
InChIInChI=1S/C17H19FN2O/c1-3-10(2)19-17(21)16-12-5-4-6-14(12)20-15-8-7-11(18)9-13(15)16/h7-10H,3-6H2,1-2H3,(H,19,21)
InChIKeyJWNVGWRSVRWBOL-UHFFFAOYSA-N
XLogP3.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-butan-2-yl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
CID 865221
N-(1-phenylpropan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 3411008
7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 82450585
2-(7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid
CID 82451440
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2696069
N-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine
CID 82451463
7-chloro-N-(4-ethylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799663
7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 82450560
7-chloro-N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108786464
2-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]pentanedioic acid
CID 108786538
7-methyl-N-[2-(2-oxopiperidin-1-yl)propyl]-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 166221804
7-methoxy-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 82452012

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of N-butan-2-yl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (CID 53016227) is N-butan-2-yl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for N-butan-2-yl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for N-butan-2-yl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is CCC(C)NC(=O)c1c2c(nc3ccc(F)cc13)CCC2.
What is the InChIKey of N-butan-2-yl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The InChIKey is JWNVGWRSVRWBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-3-10(2)19-17(21)16-12-5-4-6-14(12)20-15-8-7-11(18)9-13(15)16/h7-10H,3-6H2,1-2H3,(H,19,21).
What are the key properties of N-butan-2-yl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
N-butan-2-yl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide has a molecular weight of 286.35 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 53016227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).