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

C24H25ClN2O2 — CID 108786464

IUPAC7-chloro-N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESCCOc1ccc(C)cc1C(C)NC(=O)c1c2c(nc3ccc(Cl)cc13)CCC2
InChIInChI=1S/C24H25ClN2O2/c1-4-29-22-11-8-14(2)12-18(22)15(3)26-24(28)23-17-6-5-7-20(17)27-21-10-9-16(25)13-19(21)23/h8-13,15H,4-7H2,1-3H3,(H,26,28)
InChIKeyCVXXMJKFBTXSJB-UHFFFAOYSA-N
MW408.93 g/mol
LogP5.58
Rot. Bonds5

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

7-chloro-N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (PubChem CID 108786464) has the molecular formula C24H25ClN2O2 and a molecular weight of 408.93 g/mol. Its IUPAC name is 7-chloro-N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
PubChem CID108786464
Molecular FormulaC24H25ClN2O2
Molecular Weight408.93 g/mol
Exact Mass408.16
IUPAC Name7-chloro-N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESCCOc1ccc(C)cc1C(C)NC(=O)c1c2c(nc3ccc(Cl)cc13)CCC2
InChIInChI=1S/C24H25ClN2O2/c1-4-29-22-11-8-14(2)12-18(22)15(3)26-24(28)23-17-6-5-7-20(17)27-21-10-9-16(25)13-19(21)23/h8-13,15H,4-7H2,1-3H3,(H,26,28)
InChIKeyCVXXMJKFBTXSJB-UHFFFAOYSA-N
XLogP5.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.93
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-chloro-N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide with MolForge

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Related Compounds

(2S)-2-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]pentanedioic acid
CID 108786570
ethyl 2-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoate
CID 108786420
7-chloro-N-(2-propan-2-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108786414
N-(2-acetamidoethyl)-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799636
7-chloro-N-(2,6-diethylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108786468
7-chloro-N-(4-ethylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799663
7-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799640
7-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 134030672
N-butan-2-yl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 53016227
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-(2,3,4-trifluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799495

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of 7-chloro-N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (CID 108786464) is 7-chloro-N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for 7-chloro-N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for 7-chloro-N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is CCOc1ccc(C)cc1C(C)NC(=O)c1c2c(nc3ccc(Cl)cc13)CCC2.
What is the InChIKey of 7-chloro-N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The InChIKey is CVXXMJKFBTXSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O2/c1-4-29-22-11-8-14(2)12-18(22)15(3)26-24(28)23-17-6-5-7-20(17)27-21-10-9-16(25)13-19(21)23/h8-13,15H,4-7H2,1-3H3,(H,26,28).
What are the key properties of 7-chloro-N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
7-chloro-N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide has a molecular weight of 408.93 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 108786464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).