1,4,4-trimethyl-3-(2-pyridin-3-ylethenyl)quinoline

C19H20N2 — CID 142066425

IUPAC1,4,4-trimethyl-3-(2-pyridin-3-ylethenyl)quinoline
SMILESCN1C=C(C=Cc2cccnc2)C(C)(C)c2ccccc21
InChIInChI=1S/C19H20N2/c1-19(2)16(11-10-15-7-6-12-20-13-15)14-21(3)18-9-5-4-8-17(18)19/h4-14H,1-3H3
InChIKeyUYRCBCAOGZQCKQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.41
Rot. Bonds2

About 1,4,4-trimethyl-3-(2-pyridin-3-ylethenyl)quinoline

1,4,4-trimethyl-3-(2-pyridin-3-ylethenyl)quinoline (PubChem CID 142066425) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1,4,4-trimethyl-3-(2-pyridin-3-ylethenyl)quinoline.

Molecular Properties

Compound Name1,4,4-trimethyl-3-(2-pyridin-3-ylethenyl)quinoline
PubChem CID142066425
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name1,4,4-trimethyl-3-(2-pyridin-3-ylethenyl)quinoline
SMILESCN1C=C(C=Cc2cccnc2)C(C)(C)c2ccccc21
InChIInChI=1S/C19H20N2/c1-19(2)16(11-10-15-7-6-12-20-13-15)14-21(3)18-9-5-4-8-17(18)19/h4-14H,1-3H3
InChIKeyUYRCBCAOGZQCKQ-UHFFFAOYSA-N
XLogP4.41
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,4,4-trimethyl-3-(2-pyridin-3-ylethenyl)quinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4,4-trimethyl-3-(2-pyridin-3-ylethenyl)quinoline?
The IUPAC name of 1,4,4-trimethyl-3-(2-pyridin-3-ylethenyl)quinoline (CID 142066425) is 1,4,4-trimethyl-3-(2-pyridin-3-ylethenyl)quinoline.
What is the SMILES notation for 1,4,4-trimethyl-3-(2-pyridin-3-ylethenyl)quinoline?
The canonical SMILES for 1,4,4-trimethyl-3-(2-pyridin-3-ylethenyl)quinoline is CN1C=C(C=Cc2cccnc2)C(C)(C)c2ccccc21.
What is the InChIKey of 1,4,4-trimethyl-3-(2-pyridin-3-ylethenyl)quinoline?
The InChIKey is UYRCBCAOGZQCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-19(2)16(11-10-15-7-6-12-20-13-15)14-21(3)18-9-5-4-8-17(18)19/h4-14H,1-3H3.
What are the key properties of 1,4,4-trimethyl-3-(2-pyridin-3-ylethenyl)quinoline?
1,4,4-trimethyl-3-(2-pyridin-3-ylethenyl)quinoline has a molecular weight of 276.38 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-trimethyl-3-(2-pyridin-3-ylethenyl)quinoline is sourced from PubChem (CID 142066425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).