3-(cyclohexen-1-yl)-2-methyl-6-propan-2-ylquinoline

C19H23N — CID 127048521

IUPAC3-(cyclohexen-1-yl)-2-methyl-6-propan-2-ylquinoline
SMILESCc1nc2ccc(C(C)C)cc2cc1C1=CCCCC1
InChIInChI=1S/C19H23N/c1-13(2)16-9-10-19-17(11-16)12-18(14(3)20-19)15-7-5-4-6-8-15/h7,9-13H,4-6,8H2,1-3H3
InChIKeyQXUIEYSQDUWLMW-UHFFFAOYSA-N
MW265.40 g/mol
LogP5.62
Rot. Bonds2

About 3-(cyclohexen-1-yl)-2-methyl-6-propan-2-ylquinoline

3-(cyclohexen-1-yl)-2-methyl-6-propan-2-ylquinoline (PubChem CID 127048521) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-2-methyl-6-propan-2-ylquinoline.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-2-methyl-6-propan-2-ylquinoline
PubChem CID127048521
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name3-(cyclohexen-1-yl)-2-methyl-6-propan-2-ylquinoline
SMILESCc1nc2ccc(C(C)C)cc2cc1C1=CCCCC1
InChIInChI=1S/C19H23N/c1-13(2)16-9-10-19-17(11-16)12-18(14(3)20-19)15-7-5-4-6-8-15/h7,9-13H,4-6,8H2,1-3H3
InChIKeyQXUIEYSQDUWLMW-UHFFFAOYSA-N
XLogP5.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.40
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-2-methyl-6-propan-2-ylquinoline?
The IUPAC name of 3-(cyclohexen-1-yl)-2-methyl-6-propan-2-ylquinoline (CID 127048521) is 3-(cyclohexen-1-yl)-2-methyl-6-propan-2-ylquinoline.
What is the SMILES notation for 3-(cyclohexen-1-yl)-2-methyl-6-propan-2-ylquinoline?
The canonical SMILES for 3-(cyclohexen-1-yl)-2-methyl-6-propan-2-ylquinoline is Cc1nc2ccc(C(C)C)cc2cc1C1=CCCCC1.
What is the InChIKey of 3-(cyclohexen-1-yl)-2-methyl-6-propan-2-ylquinoline?
The InChIKey is QXUIEYSQDUWLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-13(2)16-9-10-19-17(11-16)12-18(14(3)20-19)15-7-5-4-6-8-15/h7,9-13H,4-6,8H2,1-3H3.
What are the key properties of 3-(cyclohexen-1-yl)-2-methyl-6-propan-2-ylquinoline?
3-(cyclohexen-1-yl)-2-methyl-6-propan-2-ylquinoline has a molecular weight of 265.40 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-2-methyl-6-propan-2-ylquinoline is sourced from PubChem (CID 127048521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).