5-methyl-4-propan-2-ylbenzo[g]quinoline

C17H17N — CID 168983868

IUPAC5-methyl-4-propan-2-ylbenzo[g]quinoline
SMILESCc1c2ccccc2cc2nccc(C(C)C)c12
InChIInChI=1S/C17H17N/c1-11(2)14-8-9-18-16-10-13-6-4-5-7-15(13)12(3)17(14)16/h4-11H,1-3H3
InChIKeyDNBYZIIXSLHVLM-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.82
Rot. Bonds1

About 5-methyl-4-propan-2-ylbenzo[g]quinoline

5-methyl-4-propan-2-ylbenzo[g]quinoline (PubChem CID 168983868) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-methyl-4-propan-2-ylbenzo[g]quinoline.

Molecular Properties

Compound Name5-methyl-4-propan-2-ylbenzo[g]quinoline
PubChem CID168983868
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name5-methyl-4-propan-2-ylbenzo[g]quinoline
SMILESCc1c2ccccc2cc2nccc(C(C)C)c12
InChIInChI=1S/C17H17N/c1-11(2)14-8-9-18-16-10-13-6-4-5-7-15(13)12(3)17(14)16/h4-11H,1-3H3
InChIKeyDNBYZIIXSLHVLM-UHFFFAOYSA-N
XLogP4.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-methylpropane;4-propan-2-ylbenzo[g]quinoline
CID 168983890
CID 160608048
CID 160608048
9-methylanthracene;naphthalene
CID 142881908
14,17-dimethyl-6-propan-2-yl-1,12-diaza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16,18,20,22,24-tridecaene
CID 170234759
ethane;9-methylanthracene;naphthalene
CID 161226057
4,5-di(propan-2-yl)-1,6-naphthyridine
CID 170669371
ethane;6-methyl-4-propan-2-ylbenzo[h]quinoline
CID 168983900
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
6,7-di(propan-2-yl)quinoline;ethane
CID 157071831
N-[(1S)-1-quinolin-4-ylethyl]acetamide
CID 101472715
N,9-dimethyl-12,14,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11(15),12,16-octaen-16-amine
CID 69304956
6-propan-2-ylbenzo[a]anthracene
CID 90474215

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-propan-2-ylbenzo[g]quinoline?
The IUPAC name of 5-methyl-4-propan-2-ylbenzo[g]quinoline (CID 168983868) is 5-methyl-4-propan-2-ylbenzo[g]quinoline.
What is the SMILES notation for 5-methyl-4-propan-2-ylbenzo[g]quinoline?
The canonical SMILES for 5-methyl-4-propan-2-ylbenzo[g]quinoline is Cc1c2ccccc2cc2nccc(C(C)C)c12.
What is the InChIKey of 5-methyl-4-propan-2-ylbenzo[g]quinoline?
The InChIKey is DNBYZIIXSLHVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-11(2)14-8-9-18-16-10-13-6-4-5-7-15(13)12(3)17(14)16/h4-11H,1-3H3.
What are the key properties of 5-methyl-4-propan-2-ylbenzo[g]quinoline?
5-methyl-4-propan-2-ylbenzo[g]quinoline has a molecular weight of 235.33 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-propan-2-ylbenzo[g]quinoline is sourced from PubChem (CID 168983868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).