1,4,4-trimethyl-3-methylidene-2H-quinoline

C13H17N — CID 142604520

IUPAC1,4,4-trimethyl-3-methylidene-2H-quinoline
SMILESC=C1CN(C)c2ccccc2C1(C)C
InChIInChI=1S/C13H17N/c1-10-9-14(4)12-8-6-5-7-11(12)13(10,2)3/h5-8H,1,9H2,2-4H3
InChIKeyNKJWTELPOMSXHC-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.97
Rot. Bonds

About 1,4,4-trimethyl-3-methylidene-2H-quinoline

1,4,4-trimethyl-3-methylidene-2H-quinoline (PubChem CID 142604520) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1,4,4-trimethyl-3-methylidene-2H-quinoline.

Molecular Properties

Compound Name1,4,4-trimethyl-3-methylidene-2H-quinoline
PubChem CID142604520
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1,4,4-trimethyl-3-methylidene-2H-quinoline
SMILESC=C1CN(C)c2ccccc2C1(C)C
InChIInChI=1S/C13H17N/c1-10-9-14(4)12-8-6-5-7-11(12)13(10,2)3/h5-8H,1,9H2,2-4H3
InChIKeyNKJWTELPOMSXHC-UHFFFAOYSA-N
XLogP2.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,4,4-trimethyl-3-methylidene-2H-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

9,9,10-trimethylacridine
CID 610451
ethane;1,3,4,4-tetramethyl-2H-quinazoline
CID 91014765
11-cyclopropyl-5-methyl-6H-benzo[c][1]benzazepin-11-ol
CID 18917162
1,3,3-trimethyl-2-methylideneindole
CID 58330766
10-[10-(9,9-dimethylacridin-10-yl)anthracen-9-yl]-9,9-dimethylacridine
CID 59399619
3,3-dimethyl-2-methylidene-1H-indene;ethane
CID 143953753
1,4,4-trimethyl-3-(2-methylbutyl)-2,3-dihydroquinoline
CID 137429120
(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
1-methyl-2H-indol-3-one
CID 10125067
N-(9,9-dimethylacridin-10-yl)-N,9,9-trimethylacridin-10-amine
CID 145413543
5,6,6-trimethylphenanthridine
CID 153320066
(2E)-2-(1,3,3-trimethylindol-2-ylidene)propanenitrile
CID 14170385

Frequently Asked Questions

What is the IUPAC name of 1,4,4-trimethyl-3-methylidene-2H-quinoline?
The IUPAC name of 1,4,4-trimethyl-3-methylidene-2H-quinoline (CID 142604520) is 1,4,4-trimethyl-3-methylidene-2H-quinoline.
What is the SMILES notation for 1,4,4-trimethyl-3-methylidene-2H-quinoline?
The canonical SMILES for 1,4,4-trimethyl-3-methylidene-2H-quinoline is C=C1CN(C)c2ccccc2C1(C)C.
What is the InChIKey of 1,4,4-trimethyl-3-methylidene-2H-quinoline?
The InChIKey is NKJWTELPOMSXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-10-9-14(4)12-8-6-5-7-11(12)13(10,2)3/h5-8H,1,9H2,2-4H3.
What are the key properties of 1,4,4-trimethyl-3-methylidene-2H-quinoline?
1,4,4-trimethyl-3-methylidene-2H-quinoline has a molecular weight of 187.29 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-trimethyl-3-methylidene-2H-quinoline is sourced from PubChem (CID 142604520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).