2,4-di(cycloheptyl)quinoline

C23H31N — CID 102287127

IUPAC2,4-di(cycloheptyl)quinoline
SMILESc1ccc2c(C3CCCCCC3)cc(C3CCCCCC3)nc2c1
InChIInChI=1S/C23H31N/c1-2-6-12-18(11-5-1)21-17-23(19-13-7-3-4-8-14-19)24-22-16-10-9-15-20(21)22/h9-10,15-19H,1-8,11-14H2
InChIKeyJYWICFDSZMNVDU-UHFFFAOYSA-N
MW321.51 g/mol
LogP7.11
Rot. Bonds2

About 2,4-di(cycloheptyl)quinoline

2,4-di(cycloheptyl)quinoline (PubChem CID 102287127) has the molecular formula C23H31N and a molecular weight of 321.51 g/mol. Its IUPAC name is 2,4-di(cycloheptyl)quinoline.

Molecular Properties

Compound Name2,4-di(cycloheptyl)quinoline
PubChem CID102287127
Molecular FormulaC23H31N
Molecular Weight321.51 g/mol
Exact Mass321.25
IUPAC Name2,4-di(cycloheptyl)quinoline
SMILESc1ccc2c(C3CCCCCC3)cc(C3CCCCCC3)nc2c1
InChIInChI=1S/C23H31N/c1-2-6-12-18(11-5-1)21-17-23(19-13-7-3-4-8-14-19)24-22-16-10-9-15-20(21)22/h9-10,15-19H,1-8,11-14H2
InChIKeyJYWICFDSZMNVDU-UHFFFAOYSA-N
XLogP7.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.51
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclododecyl-4-methylquinoline
CID 10566873
2-cyclohexyl-4-methylquinoline
CID 175925044
4-cyclopentyl-2-(3-methylphenyl)quinoline
CID 138464462
4-chloro-2-cyclopropylquinoline
CID 63357870
5-cyclohexyl-3-(methoxyamino)-1-benzazepin-2-one
CID 54083605
2-cyclopentylquinoline-4-carbohydrazide
CID 5270704
4-cyclopentylquinoline
CID 57273226
N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide
CID 55469564
5-cyclohexyl-2-(3-methylphenyl)quinoline
CID 138464216
2-(4-cyclohexylnaphthalen-2-yl)pyridine
CID 151672522
2-chloro-3-cyclohexylquinoline
CID 14001235
4-cyclohexylquinazolin-2-amine
CID 66520631

Frequently Asked Questions

What is the IUPAC name of 2,4-di(cycloheptyl)quinoline?
The IUPAC name of 2,4-di(cycloheptyl)quinoline (CID 102287127) is 2,4-di(cycloheptyl)quinoline.
What is the SMILES notation for 2,4-di(cycloheptyl)quinoline?
The canonical SMILES for 2,4-di(cycloheptyl)quinoline is c1ccc2c(C3CCCCCC3)cc(C3CCCCCC3)nc2c1.
What is the InChIKey of 2,4-di(cycloheptyl)quinoline?
The InChIKey is JYWICFDSZMNVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N/c1-2-6-12-18(11-5-1)21-17-23(19-13-7-3-4-8-14-19)24-22-16-10-9-15-20(21)22/h9-10,15-19H,1-8,11-14H2.
What are the key properties of 2,4-di(cycloheptyl)quinoline?
2,4-di(cycloheptyl)quinoline has a molecular weight of 321.51 g/mol, XLogP of 7.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(cycloheptyl)quinoline is sourced from PubChem (CID 102287127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).