8-methyl-11-propan-2-yl-7H-cyclohepta[b]quinoline

C18H19N — CID 91090629

IUPAC8-methyl-11-propan-2-yl-7H-cyclohepta[b]quinoline
SMILESCC1=CC=c2c(C(C)C)c3ccccc3nc2=CC1
InChIInChI=1S/C18H19N/c1-12(2)18-14-6-4-5-7-16(14)19-17-11-9-13(3)8-10-15(17)18/h4-8,10-12H,9H2,1-3H3
InChIKeyQBZJMSPGHKROGZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.27
Rot. Bonds1

About 8-methyl-11-propan-2-yl-7H-cyclohepta[b]quinoline

8-methyl-11-propan-2-yl-7H-cyclohepta[b]quinoline (PubChem CID 91090629) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 8-methyl-11-propan-2-yl-7H-cyclohepta[b]quinoline.

Molecular Properties

Compound Name8-methyl-11-propan-2-yl-7H-cyclohepta[b]quinoline
PubChem CID91090629
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name8-methyl-11-propan-2-yl-7H-cyclohepta[b]quinoline
SMILESCC1=CC=c2c(C(C)C)c3ccccc3nc2=CC1
InChIInChI=1S/C18H19N/c1-12(2)18-14-6-4-5-7-16(14)19-17-11-9-13(3)8-10-15(17)18/h4-8,10-12H,9H2,1-3H3
InChIKeyQBZJMSPGHKROGZ-UHFFFAOYSA-N
XLogP3.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

11-cycloprop-2-en-1-yl-3-fluoro-6,7,8,9,10,11a-hexahydro-1H-cyclohepta[b]quinoline
CID 71019876
6-Ethyl-2-(1-fluoroethyl)-6,7-dihydroquinoline
CID 143910995
5,10-Dimethyl-5,6,10,14b-tetrahydrophenanthro[9,10-b]quinoxaline
CID 19362341
N-(6-methylcyclohexa-1,3-dien-1-yl)-6-methylidenecyclohex-2-en-1-imine
CID 68004378
(9aR)-2,9a-dimethyl-1H-acridine
CID 68274174
8,9-dihydro-7H-benzo[b][1]benzazepine
CID 87111168
2-methyl-6-[(9Z,11E,13E)-15-methyl-14-tricyclo[6.6.2.04,16]hexadeca-1,5,9,11,13-pentaenyl]-3,4-dihydropyridine
CID 89431640
2,7-Dimethyl-6,7-dihydroquinoline
CID 89495201
2,6-Dimethyl-6,7-dihydroquinoline
CID 89495203
2,6,7-Trimethyl-4a,5-dihydroquinoline
CID 89961067
4,10-dimethyl-11-methylidene-3-[(E)-prop-1-enyl]-2-azabicyclo[6.4.0]dodeca-1(12),2,6,7,9-pentaene
CID 90688123
6-methylidene-N-(4-methylpent-1-en-2-yl)cyclohexa-2,4-dien-1-imine
CID 90959943

Frequently Asked Questions

What is the IUPAC name of 8-methyl-11-propan-2-yl-7H-cyclohepta[b]quinoline?
The IUPAC name of 8-methyl-11-propan-2-yl-7H-cyclohepta[b]quinoline (CID 91090629) is 8-methyl-11-propan-2-yl-7H-cyclohepta[b]quinoline.
What is the SMILES notation for 8-methyl-11-propan-2-yl-7H-cyclohepta[b]quinoline?
The canonical SMILES for 8-methyl-11-propan-2-yl-7H-cyclohepta[b]quinoline is CC1=CC=c2c(C(C)C)c3ccccc3nc2=CC1.
What is the InChIKey of 8-methyl-11-propan-2-yl-7H-cyclohepta[b]quinoline?
The InChIKey is QBZJMSPGHKROGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-12(2)18-14-6-4-5-7-16(14)19-17-11-9-13(3)8-10-15(17)18/h4-8,10-12H,9H2,1-3H3.
What are the key properties of 8-methyl-11-propan-2-yl-7H-cyclohepta[b]quinoline?
8-methyl-11-propan-2-yl-7H-cyclohepta[b]quinoline has a molecular weight of 249.36 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-11-propan-2-yl-7H-cyclohepta[b]quinoline is sourced from PubChem (CID 91090629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).