(9-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl)-(3-methylpiperidin-1-yl)methanone

C19H21ClN2O — CID 20873715

IUPAC(9-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCC4)C1
InChIInChI=1S/C19H21ClN2O/c1-12-4-3-9-22(11-12)19(23)13-7-8-15-17(10-13)21-16-6-2-5-14(16)18(15)20/h7-8,10,12H,2-6,9,11H2,1H3
InChIKeyRQDCTWJEIJVNCU-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.25
Rot. Bonds1

About (9-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl)-(3-methylpiperidin-1-yl)methanone

(9-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 20873715) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is (9-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(9-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl)-(3-methylpiperidin-1-yl)methanone
PubChem CID20873715
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name(9-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCC4)C1
InChIInChI=1S/C19H21ClN2O/c1-12-4-3-9-22(11-12)19(23)13-7-8-15-17(10-13)21-16-6-2-5-14(16)18(15)20/h7-8,10,12H,2-6,9,11H2,1H3
InChIKeyRQDCTWJEIJVNCU-UHFFFAOYSA-N
XLogP4.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (9-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl)-(3-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

methyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate
CID 155528154
9-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 20866087
6-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-3,6-diazabicyclo[3.1.1]heptane-3-carboxylic acid
CID 126753961
(9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 126457296
(9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 15945471
propyl 2-(acetyloxymethyl)-4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate
CID 126753672
4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-2-(2-methylpropanoyloxymethyl)piperazine-1-carboxylic acid
CID 126753650
propyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-3,5-dimethylpiperazine-1-carboxylate
CID 126753436
9-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 20873711
(3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 18105294
(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 103951613
9-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 20866048

Frequently Asked Questions

What is the IUPAC name of (9-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (9-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl)-(3-methylpiperidin-1-yl)methanone (CID 20873715) is (9-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (9-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (9-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl)-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCC4)C1.
What is the InChIKey of (9-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is RQDCTWJEIJVNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-12-4-3-9-22(11-12)19(23)13-7-8-15-17(10-13)21-16-6-2-5-14(16)18(15)20/h7-8,10,12H,2-6,9,11H2,1H3.
What are the key properties of (9-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl)-(3-methylpiperidin-1-yl)methanone?
(9-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 328.84 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 20873715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).