7-methyl-3-propan-2-yl-4,4a-dihydrobenzo[g]quinoline

C17H19N — CID 70832201

IUPAC7-methyl-3-propan-2-yl-4,4a-dihydrobenzo[g]quinoline
SMILESCc1ccc2c(c1)=CC1CC(C(C)C)=CN=C1C=2
InChIInChI=1S/C17H19N/c1-11(2)16-8-15-7-14-6-12(3)4-5-13(14)9-17(15)18-10-16/h4-7,9-11,15H,8H2,1-3H3
InChIKeyZZLKERISTDGPMX-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.57
Rot. Bonds1

About 7-methyl-3-propan-2-yl-4,4a-dihydrobenzo[g]quinoline

7-methyl-3-propan-2-yl-4,4a-dihydrobenzo[g]quinoline (PubChem CID 70832201) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 7-methyl-3-propan-2-yl-4,4a-dihydrobenzo[g]quinoline.

Molecular Properties

Compound Name7-methyl-3-propan-2-yl-4,4a-dihydrobenzo[g]quinoline
PubChem CID70832201
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name7-methyl-3-propan-2-yl-4,4a-dihydrobenzo[g]quinoline
SMILESCc1ccc2c(c1)=CC1CC(C(C)C)=CN=C1C=2
InChIInChI=1S/C17H19N/c1-11(2)16-8-15-7-14-6-12(3)4-5-13(14)9-17(15)18-10-16/h4-7,9-11,15H,8H2,1-3H3
InChIKeyZZLKERISTDGPMX-UHFFFAOYSA-N
XLogP2.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-propan-2-yl-4,4a-dihydrobenzo[g]quinoline?
The IUPAC name of 7-methyl-3-propan-2-yl-4,4a-dihydrobenzo[g]quinoline (CID 70832201) is 7-methyl-3-propan-2-yl-4,4a-dihydrobenzo[g]quinoline.
What is the SMILES notation for 7-methyl-3-propan-2-yl-4,4a-dihydrobenzo[g]quinoline?
The canonical SMILES for 7-methyl-3-propan-2-yl-4,4a-dihydrobenzo[g]quinoline is Cc1ccc2c(c1)=CC1CC(C(C)C)=CN=C1C=2.
What is the InChIKey of 7-methyl-3-propan-2-yl-4,4a-dihydrobenzo[g]quinoline?
The InChIKey is ZZLKERISTDGPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-11(2)16-8-15-7-14-6-12(3)4-5-13(14)9-17(15)18-10-16/h4-7,9-11,15H,8H2,1-3H3.
What are the key properties of 7-methyl-3-propan-2-yl-4,4a-dihydrobenzo[g]quinoline?
7-methyl-3-propan-2-yl-4,4a-dihydrobenzo[g]quinoline has a molecular weight of 237.35 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-propan-2-yl-4,4a-dihydrobenzo[g]quinoline is sourced from PubChem (CID 70832201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).