5-methyl-8-propan-2-yl-6,7-dihydroquinoline

C13H17N — CID 122596984

IUPAC5-methyl-8-propan-2-yl-6,7-dihydroquinoline
SMILESCC1=c2cccnc2=C(C(C)C)CC1
InChIInChI=1S/C13H17N/c1-9(2)11-7-6-10(3)12-5-4-8-14-13(11)12/h4-5,8-9H,6-7H2,1-3H3
InChIKeyDZZIIDKCKLCIMP-UHFFFAOYSA-N
MW187.29 g/mol
LogP1.85
Rot. Bonds1

About 5-methyl-8-propan-2-yl-6,7-dihydroquinoline

5-methyl-8-propan-2-yl-6,7-dihydroquinoline (PubChem CID 122596984) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 5-methyl-8-propan-2-yl-6,7-dihydroquinoline.

Molecular Properties

Compound Name5-methyl-8-propan-2-yl-6,7-dihydroquinoline
PubChem CID122596984
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name5-methyl-8-propan-2-yl-6,7-dihydroquinoline
SMILESCC1=c2cccnc2=C(C(C)C)CC1
InChIInChI=1S/C13H17N/c1-9(2)11-7-6-10(3)12-5-4-8-14-13(11)12/h4-5,8-9H,6-7H2,1-3H3
InChIKeyDZZIIDKCKLCIMP-UHFFFAOYSA-N
XLogP1.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-propan-2-yl-6,7-dihydroquinoline?
The IUPAC name of 5-methyl-8-propan-2-yl-6,7-dihydroquinoline (CID 122596984) is 5-methyl-8-propan-2-yl-6,7-dihydroquinoline.
What is the SMILES notation for 5-methyl-8-propan-2-yl-6,7-dihydroquinoline?
The canonical SMILES for 5-methyl-8-propan-2-yl-6,7-dihydroquinoline is CC1=c2cccnc2=C(C(C)C)CC1.
What is the InChIKey of 5-methyl-8-propan-2-yl-6,7-dihydroquinoline?
The InChIKey is DZZIIDKCKLCIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-9(2)11-7-6-10(3)12-5-4-8-14-13(11)12/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 5-methyl-8-propan-2-yl-6,7-dihydroquinoline?
5-methyl-8-propan-2-yl-6,7-dihydroquinoline has a molecular weight of 187.29 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-propan-2-yl-6,7-dihydroquinoline is sourced from PubChem (CID 122596984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).