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

C21H17ClN2O3 — CID 108799559

IUPAC7-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1c2c(nc3ccc(Cl)cc13)CCC2
InChIInChI=1S/C21H17ClN2O3/c22-12-4-6-17-15(10-12)20(14-2-1-3-16(14)24-17)21(25)23-13-5-7-18-19(11-13)27-9-8-26-18/h4-7,10-11H,1-3,8-9H2,(H,23,25)
InChIKeyNYJPZPVGKRHIPG-UHFFFAOYSA-N
MW380.83 g/mol
LogP4.40
Rot. Bonds2

About 7-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

7-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (PubChem CID 108799559) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is 7-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
PubChem CID108799559
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC Name7-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1c2c(nc3ccc(Cl)cc13)CCC2
InChIInChI=1S/C21H17ClN2O3/c22-12-4-6-17-15(10-12)20(14-2-1-3-16(14)24-17)21(25)23-13-5-7-18-19(11-13)27-9-8-26-18/h4-7,10-11H,1-3,8-9H2,(H,23,25)
InChIKeyNYJPZPVGKRHIPG-UHFFFAOYSA-N
XLogP4.40
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-N-(3-methylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799652
7-chloro-N-(4-ethylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799663
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
7-chloro-N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108786545
7-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799640
N-(1,3-benzodioxol-5-yl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46256249
7-chloro-N-(2-oxo-1H-pyrimidin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799513
7-chloro-N-(5-hydroxypentyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108786527
7-chloro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108809700
7-chloro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108809764
(2S)-2-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]pentanedioic acid
CID 108786570

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of 7-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (CID 108799559) is 7-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for 7-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for 7-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1c2c(nc3ccc(Cl)cc13)CCC2.
What is the InChIKey of 7-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The InChIKey is NYJPZPVGKRHIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c22-12-4-6-17-15(10-12)20(14-2-1-3-16(14)24-17)21(25)23-13-5-7-18-19(11-13)27-9-8-26-18/h4-7,10-11H,1-3,8-9H2,(H,23,25).
What are the key properties of 7-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
7-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide has a molecular weight of 380.83 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 108799559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).