(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone

C21H24ClN3O — CID 162658540

IUPAC(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)N2CCCc3cc(Cl)ccc32)CC1
InChIInChI=1S/C21H24ClN3O/c1-16-5-2-3-7-19(16)23-11-13-24(14-12-23)21(26)25-10-4-6-17-15-18(22)8-9-20(17)25/h2-3,5,7-9,15H,4,6,10-14H2,1H3
InChIKeyIMMDJFFGIHKYFC-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.34
Rot. Bonds1

About (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone

(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone (PubChem CID 162658540) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
PubChem CID162658540
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)N2CCCc3cc(Cl)ccc32)CC1
InChIInChI=1S/C21H24ClN3O/c1-16-5-2-3-7-19(16)23-11-13-24(14-12-23)21(26)25-10-4-6-17-15-18(22)8-9-20(17)25/h2-3,5,7-9,15H,4,6,10-14H2,1H3
InChIKeyIMMDJFFGIHKYFC-UHFFFAOYSA-N
XLogP4.34
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 118602696
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyrrolidin-1-ylmethanone
CID 115578642
methyl 6-chloro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 82473511
4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperazine-1-carbaldehyde
CID 108988608
6-chloro-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110747484
(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylsulfonylphenyl)methanone
CID 86929717
3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone
CID 108987982
6-chloro-N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 134093336
1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 143462130
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
7-chloro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69222522
N-(4-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505647

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone (CID 162658540) is (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone is Cc1ccccc1N1CCN(C(=O)N2CCCc3cc(Cl)ccc32)CC1.
What is the InChIKey of (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is IMMDJFFGIHKYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-16-5-2-3-7-19(16)23-11-13-24(14-12-23)21(26)25-10-4-6-17-15-18(22)8-9-20(17)25/h2-3,5,7-9,15H,4,6,10-14H2,1H3.
What are the key properties of (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 369.90 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 162658540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).