7-chloro-3-(3,5-dimethylphenyl)-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinoline

C31H33ClN2O — CID 143661136

IUPAC7-chloro-3-(3,5-dimethylphenyl)-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinoline
SMILESCc1cccc(-c2cc3c(OCCC4CCCCN4)c(-c4cc(C)cc(C)c4)cnc3cc2Cl)c1
InChIInChI=1S/C31H33ClN2O/c1-20-7-6-8-23(14-20)26-17-27-30(18-29(26)32)34-19-28(24-15-21(2)13-22(3)16-24)31(27)35-12-10-25-9-4-5-11-33-25/h6-8,13-19,25,33H,4-5,9-12H2,1-3H3
InChIKeyCJJOERBESPGFHY-UHFFFAOYSA-N
MW485.07 g/mol
LogP8.06
Rot. Bonds6

About 7-chloro-3-(3,5-dimethylphenyl)-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinoline

7-chloro-3-(3,5-dimethylphenyl)-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinoline (PubChem CID 143661136) has the molecular formula C31H33ClN2O and a molecular weight of 485.07 g/mol. Its IUPAC name is 7-chloro-3-(3,5-dimethylphenyl)-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinoline.

Molecular Properties

Compound Name7-chloro-3-(3,5-dimethylphenyl)-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinoline
PubChem CID143661136
Molecular FormulaC31H33ClN2O
Molecular Weight485.07 g/mol
Exact Mass484.23
IUPAC Name7-chloro-3-(3,5-dimethylphenyl)-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinoline
SMILESCc1cccc(-c2cc3c(OCCC4CCCCN4)c(-c4cc(C)cc(C)c4)cnc3cc2Cl)c1
InChIInChI=1S/C31H33ClN2O/c1-20-7-6-8-23(14-20)26-17-27-30(18-29(26)32)34-19-28(24-15-21(2)13-22(3)16-24)31(27)35-12-10-25-9-4-5-11-33-25/h6-8,13-19,25,33H,4-5,9-12H2,1-3H3
InChIKeyCJJOERBESPGFHY-UHFFFAOYSA-N
XLogP8.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.07
LogP ≤ 58.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-chloro-3-(3,5-dimethylphenyl)-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinoline with MolForge

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Related Compounds

[3-[7-chloro-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-3-yl]phenyl]methanol
CID 143661146
7-chloro-3-(3,5-dimethylphenyl)-4-[2-[(2S)-piperidin-2-yl]ethoxy]-6-pyridin-3-ylquinoline
CID 24953384
7-chloro-6-(2-chloro-4-pyridinyl)-3-(3,5-dimethylphenyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinoline
CID 24951955
N-[3-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]acetamide
CID 24956597
5-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]pyridin-2-amine
CID 75965988
2-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]aniline
CID 89271599
4-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]benzonitrile
CID 24955522
3-[4-[2-(azetidin-2-yl)ethoxy]-7-chloro-3-(3,5-dimethylphenyl)quinolin-6-yl]benzaldehyde
CID 24955159
7-chloro-3-(3,5-dimethylphenyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]-N-pyrimidin-4-ylquinoline-6-carboxamide
CID 54584354
3,6-bis(4-fluorophenyl)-4-(2-piperidin-2-ylethoxy)quinoline
CID 74372586
phenyl-[4-[3-phenyl-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]methanone
CID 24955158
6-(6-methoxy-3-pyridinyl)-3-phenyl-4-(2-piperidin-2-ylethoxy)quinoline
CID 24955160

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3,5-dimethylphenyl)-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinoline?
The IUPAC name of 7-chloro-3-(3,5-dimethylphenyl)-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinoline (CID 143661136) is 7-chloro-3-(3,5-dimethylphenyl)-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinoline.
What is the SMILES notation for 7-chloro-3-(3,5-dimethylphenyl)-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinoline?
The canonical SMILES for 7-chloro-3-(3,5-dimethylphenyl)-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinoline is Cc1cccc(-c2cc3c(OCCC4CCCCN4)c(-c4cc(C)cc(C)c4)cnc3cc2Cl)c1.
What is the InChIKey of 7-chloro-3-(3,5-dimethylphenyl)-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinoline?
The InChIKey is CJJOERBESPGFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33ClN2O/c1-20-7-6-8-23(14-20)26-17-27-30(18-29(26)32)34-19-28(24-15-21(2)13-22(3)16-24)31(27)35-12-10-25-9-4-5-11-33-25/h6-8,13-19,25,33H,4-5,9-12H2,1-3H3.
What are the key properties of 7-chloro-3-(3,5-dimethylphenyl)-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinoline?
7-chloro-3-(3,5-dimethylphenyl)-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinoline has a molecular weight of 485.07 g/mol, XLogP of 8.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3,5-dimethylphenyl)-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinoline is sourced from PubChem (CID 143661136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).