6-butyl-3-(cyclohexen-1-yl)-2-methylquinoline

C20H25N — CID 127049154

IUPAC6-butyl-3-(cyclohexen-1-yl)-2-methylquinoline
SMILESCCCCc1ccc2nc(C)c(C3=CCCCC3)cc2c1
InChIInChI=1S/C20H25N/c1-3-4-8-16-11-12-20-18(13-16)14-19(15(2)21-20)17-9-6-5-7-10-17/h9,11-14H,3-8,10H2,1-2H3
InChIKeyRQBTUZCCAQOTRR-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.84
Rot. Bonds4

About 6-butyl-3-(cyclohexen-1-yl)-2-methylquinoline

6-butyl-3-(cyclohexen-1-yl)-2-methylquinoline (PubChem CID 127049154) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 6-butyl-3-(cyclohexen-1-yl)-2-methylquinoline.

Molecular Properties

Compound Name6-butyl-3-(cyclohexen-1-yl)-2-methylquinoline
PubChem CID127049154
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name6-butyl-3-(cyclohexen-1-yl)-2-methylquinoline
SMILESCCCCc1ccc2nc(C)c(C3=CCCCC3)cc2c1
InChIInChI=1S/C20H25N/c1-3-4-8-16-11-12-20-18(13-16)14-19(15(2)21-20)17-9-6-5-7-10-17/h9,11-14H,3-8,10H2,1-2H3
InChIKeyRQBTUZCCAQOTRR-UHFFFAOYSA-N
XLogP5.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tacrine
CID 1935
Proflavine
CID 7099
Acridine
CID 9215
Benz(c)acridine
CID 9181
Tacrine Hydrochloride
CID 2723754
6-Methylquinoline
CID 7059
Acridine Orange Base
CID 62344
9-Aminoacridine
CID 7019
2-Methylquinoline
CID 7060
9-Aminoacridine hydrochloride
CID 8643
4-Methylquinoline
CID 10285
Dibenz(a,j)acridine
CID 9177

Frequently Asked Questions

What is the IUPAC name of 6-butyl-3-(cyclohexen-1-yl)-2-methylquinoline?
The IUPAC name of 6-butyl-3-(cyclohexen-1-yl)-2-methylquinoline (CID 127049154) is 6-butyl-3-(cyclohexen-1-yl)-2-methylquinoline.
What is the SMILES notation for 6-butyl-3-(cyclohexen-1-yl)-2-methylquinoline?
The canonical SMILES for 6-butyl-3-(cyclohexen-1-yl)-2-methylquinoline is CCCCc1ccc2nc(C)c(C3=CCCCC3)cc2c1.
What is the InChIKey of 6-butyl-3-(cyclohexen-1-yl)-2-methylquinoline?
The InChIKey is RQBTUZCCAQOTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-3-4-8-16-11-12-20-18(13-16)14-19(15(2)21-20)17-9-6-5-7-10-17/h9,11-14H,3-8,10H2,1-2H3.
What are the key properties of 6-butyl-3-(cyclohexen-1-yl)-2-methylquinoline?
6-butyl-3-(cyclohexen-1-yl)-2-methylquinoline has a molecular weight of 279.43 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-3-(cyclohexen-1-yl)-2-methylquinoline is sourced from PubChem (CID 127049154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).