7-chloro-N-(5-hydroxypentyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

C18H21ClN2O2 — CID 108786527

IUPAC7-chloro-N-(5-hydroxypentyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESO=C(NCCCCCO)c1c2c(nc3ccc(Cl)cc13)CCC2
InChIInChI=1S/C18H21ClN2O2/c19-12-7-8-16-14(11-12)17(13-5-4-6-15(13)21-16)18(23)20-9-2-1-3-10-22/h7-8,11,22H,1-6,9-10H2,(H,20,23)
InChIKeyANOFDKDCBHTZNJ-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.27
Rot. Bonds6

About 7-chloro-N-(5-hydroxypentyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

7-chloro-N-(5-hydroxypentyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (PubChem CID 108786527) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 7-chloro-N-(5-hydroxypentyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(5-hydroxypentyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
PubChem CID108786527
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name7-chloro-N-(5-hydroxypentyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESO=C(NCCCCCO)c1c2c(nc3ccc(Cl)cc13)CCC2
InChIInChI=1S/C18H21ClN2O2/c19-12-7-8-16-14(11-12)17(13-5-4-6-15(13)21-16)18(23)20-9-2-1-3-10-22/h7-8,11,22H,1-6,9-10H2,(H,20,23)
InChIKeyANOFDKDCBHTZNJ-UHFFFAOYSA-N
XLogP3.27
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799636
3-[[4-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoyl]amino]propanoic acid
CID 108799650
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108809739
7-chloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799665
7-chloro-N-(2-hydroxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799537
7-chloro-N-(4-ethylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799663
7-chloro-N-(2,6-diethylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108786468
2-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]pentanedioic acid
CID 108786538
7-chloro-N-(2-oxo-1H-pyrimidin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799513
7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108809732
7-chloro-N-(3-methylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799652
7-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799559

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(5-hydroxypentyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of 7-chloro-N-(5-hydroxypentyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (CID 108786527) is 7-chloro-N-(5-hydroxypentyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for 7-chloro-N-(5-hydroxypentyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for 7-chloro-N-(5-hydroxypentyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is O=C(NCCCCCO)c1c2c(nc3ccc(Cl)cc13)CCC2.
What is the InChIKey of 7-chloro-N-(5-hydroxypentyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The InChIKey is ANOFDKDCBHTZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c19-12-7-8-16-14(11-12)17(13-5-4-6-15(13)21-16)18(23)20-9-2-1-3-10-22/h7-8,11,22H,1-6,9-10H2,(H,20,23).
What are the key properties of 7-chloro-N-(5-hydroxypentyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
7-chloro-N-(5-hydroxypentyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide has a molecular weight of 332.83 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(5-hydroxypentyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 108786527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).