9-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide

C23H23ClN2O3 — CID 6620100

IUPAC9-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc3c(Cl)c4c(nc3c2)CCC4)cc1OC
InChIInChI=1S/C23H23ClN2O3/c1-28-20-9-6-14(12-21(20)29-2)10-11-25-23(27)15-7-8-17-19(13-15)26-18-5-3-4-16(18)22(17)24/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,25,27)
InChIKeyFJPKEWGLNFSZAN-UHFFFAOYSA-N
MW410.90 g/mol
LogP4.37
Rot. Bonds6

About 9-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide

9-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide (PubChem CID 6620100) has the molecular formula C23H23ClN2O3 and a molecular weight of 410.90 g/mol. Its IUPAC name is 9-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide.

Molecular Properties

Compound Name9-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
PubChem CID6620100
Molecular FormulaC23H23ClN2O3
Molecular Weight410.90 g/mol
Exact Mass410.14
IUPAC Name9-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc3c(Cl)c4c(nc3c2)CCC4)cc1OC
InChIInChI=1S/C23H23ClN2O3/c1-28-20-9-6-14(12-21(20)29-2)10-11-25-23(27)15-7-8-17-19(13-15)26-18-5-3-4-16(18)22(17)24/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,25,27)
InChIKeyFJPKEWGLNFSZAN-UHFFFAOYSA-N
XLogP4.37
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide with MolForge

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Related Compounds

9-chloro-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 20873749
9-chloro-N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 46257955
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011514
ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]acetate
CID 20866032
9-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 20866048
N-[2-(4-methoxy-3-methylphenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110795132
ethyl 4-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate
CID 46256310
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide
CID 26775714
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 110295138
N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-3,4-dimethoxybenzamide
CID 5239068
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119263813

Frequently Asked Questions

What is the IUPAC name of 9-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The IUPAC name of 9-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide (CID 6620100) is 9-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide.
What is the SMILES notation for 9-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The canonical SMILES for 9-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide is COc1ccc(CCNC(=O)c2ccc3c(Cl)c4c(nc3c2)CCC4)cc1OC.
What is the InChIKey of 9-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The InChIKey is FJPKEWGLNFSZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3/c1-28-20-9-6-14(12-21(20)29-2)10-11-25-23(27)15-7-8-17-19(13-15)26-18-5-3-4-16(18)22(17)24/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,25,27).
What are the key properties of 9-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
9-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide has a molecular weight of 410.90 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide is sourced from PubChem (CID 6620100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).