4a-methyl-4H-benzo[h]quinoline

C14H13N — CID 143087111

IUPAC4a-methyl-4H-benzo[h]quinoline
SMILESCC12C=Cc3ccccc3C1=NC=CC2
InChIInChI=1S/C14H13N/c1-14-8-4-10-15-13(14)12-6-3-2-5-11(12)7-9-14/h2-7,9-10H,8H2,1H3
InChIKeyIQHLJUHWPYXRAW-UHFFFAOYSA-N
MW195.27 g/mol
LogP3.43
Rot. Bonds

About 4a-methyl-4H-benzo[h]quinoline

4a-methyl-4H-benzo[h]quinoline (PubChem CID 143087111) has the molecular formula C14H13N and a molecular weight of 195.27 g/mol. Its IUPAC name is 4a-methyl-4H-benzo[h]quinoline.

Molecular Properties

Compound Name4a-methyl-4H-benzo[h]quinoline
PubChem CID143087111
Molecular FormulaC14H13N
Molecular Weight195.27 g/mol
Exact Mass195.10
IUPAC Name4a-methyl-4H-benzo[h]quinoline
SMILESCC12C=Cc3ccccc3C1=NC=CC2
InChIInChI=1S/C14H13N/c1-14-8-4-10-15-13(14)12-6-3-2-5-11(12)7-9-14/h2-7,9-10H,8H2,1H3
InChIKeyIQHLJUHWPYXRAW-UHFFFAOYSA-N
XLogP3.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4a-methyl-4H-benzo[h]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethylnaphthalene-1-thione
CID 14593448
1,1,3,3-tetramethylspiro[cyclobutane-2,1'-indene]
CID 58564330
6a-methylisoquinolino[2,3-a]quinoline-7,12-dione
CID 154722874
dichloro-(1-methylinden-1-yl)borane
CID 135083238
(1S)-1-iodo-1-methyl-2H-naphthalene
CID 70994491
tricyclo[14.4.0.02,7]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
CID 123254733
3aH-benzo[g]indole
CID 70367392
4-methyl-[1,2,4]triazino[3,2-a]isoquinoline
CID 140590948
2-[1-methyl-4-(9,9'-spirobi[fluorene]-2-yl)cyclohexa-2,4-dien-1-yl]-1,3-benzoxazole
CID 126702170
2H-naphthalen-1-one;hydrobromide
CID 21419388
2,6-bis(1-methylinden-1-yl)pyridine
CID 139415880
1-benzhydrylidene-2H-naphthalene
CID 172757521

Frequently Asked Questions

What is the IUPAC name of 4a-methyl-4H-benzo[h]quinoline?
The IUPAC name of 4a-methyl-4H-benzo[h]quinoline (CID 143087111) is 4a-methyl-4H-benzo[h]quinoline.
What is the SMILES notation for 4a-methyl-4H-benzo[h]quinoline?
The canonical SMILES for 4a-methyl-4H-benzo[h]quinoline is CC12C=Cc3ccccc3C1=NC=CC2.
What is the InChIKey of 4a-methyl-4H-benzo[h]quinoline?
The InChIKey is IQHLJUHWPYXRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N/c1-14-8-4-10-15-13(14)12-6-3-2-5-11(12)7-9-14/h2-7,9-10H,8H2,1H3.
What are the key properties of 4a-methyl-4H-benzo[h]quinoline?
4a-methyl-4H-benzo[h]quinoline has a molecular weight of 195.27 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-methyl-4H-benzo[h]quinoline is sourced from PubChem (CID 143087111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).