1-[8-(2,4-dichlorophenyl)-2-methylquinolin-4-yl]-3,6-dihydro-2H-pyridine-4-carbonitrile

C22H17Cl2N3 — CID 22574429

IUPAC1-[8-(2,4-dichlorophenyl)-2-methylquinolin-4-yl]-3,6-dihydro-2H-pyridine-4-carbonitrile
SMILESCc1cc(N2CC=C(C#N)CC2)c2cccc(-c3ccc(Cl)cc3Cl)c2n1
InChIInChI=1S/C22H17Cl2N3/c1-14-11-21(27-9-7-15(13-25)8-10-27)19-4-2-3-18(22(19)26-14)17-6-5-16(23)12-20(17)24/h2-7,11-12H,8-10H2,1H3
InChIKeyXWRYGIFJOWKXTR-UHFFFAOYSA-N
MW394.31 g/mol
LogP6.18
Rot. Bonds2

About 1-[8-(2,4-dichlorophenyl)-2-methylquinolin-4-yl]-3,6-dihydro-2H-pyridine-4-carbonitrile

1-[8-(2,4-dichlorophenyl)-2-methylquinolin-4-yl]-3,6-dihydro-2H-pyridine-4-carbonitrile (PubChem CID 22574429) has the molecular formula C22H17Cl2N3 and a molecular weight of 394.31 g/mol. Its IUPAC name is 1-[8-(2,4-dichlorophenyl)-2-methylquinolin-4-yl]-3,6-dihydro-2H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-[8-(2,4-dichlorophenyl)-2-methylquinolin-4-yl]-3,6-dihydro-2H-pyridine-4-carbonitrile
PubChem CID22574429
Molecular FormulaC22H17Cl2N3
Molecular Weight394.31 g/mol
Exact Mass393.08
IUPAC Name1-[8-(2,4-dichlorophenyl)-2-methylquinolin-4-yl]-3,6-dihydro-2H-pyridine-4-carbonitrile
SMILESCc1cc(N2CC=C(C#N)CC2)c2cccc(-c3ccc(Cl)cc3Cl)c2n1
InChIInChI=1S/C22H17Cl2N3/c1-14-11-21(27-9-7-15(13-25)8-10-27)19-4-2-3-18(22(19)26-14)17-6-5-16(23)12-20(17)24/h2-7,11-12H,8-10H2,1H3
InChIKeyXWRYGIFJOWKXTR-UHFFFAOYSA-N
XLogP6.18
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.31
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[8-(2,4-dichlorophenyl)-2-methylquinolin-4-yl]-3,6-dihydro-2H-pyridine-4-carbonitrile 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-[8-(2,4-dichlorophenyl)-2-methylquinolin-4-yl]-3,6-dihydro-2H-pyridine-4-carbonitrile?
The IUPAC name of 1-[8-(2,4-dichlorophenyl)-2-methylquinolin-4-yl]-3,6-dihydro-2H-pyridine-4-carbonitrile (CID 22574429) is 1-[8-(2,4-dichlorophenyl)-2-methylquinolin-4-yl]-3,6-dihydro-2H-pyridine-4-carbonitrile.
What is the SMILES notation for 1-[8-(2,4-dichlorophenyl)-2-methylquinolin-4-yl]-3,6-dihydro-2H-pyridine-4-carbonitrile?
The canonical SMILES for 1-[8-(2,4-dichlorophenyl)-2-methylquinolin-4-yl]-3,6-dihydro-2H-pyridine-4-carbonitrile is Cc1cc(N2CC=C(C#N)CC2)c2cccc(-c3ccc(Cl)cc3Cl)c2n1.
What is the InChIKey of 1-[8-(2,4-dichlorophenyl)-2-methylquinolin-4-yl]-3,6-dihydro-2H-pyridine-4-carbonitrile?
The InChIKey is XWRYGIFJOWKXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3/c1-14-11-21(27-9-7-15(13-25)8-10-27)19-4-2-3-18(22(19)26-14)17-6-5-16(23)12-20(17)24/h2-7,11-12H,8-10H2,1H3.
What are the key properties of 1-[8-(2,4-dichlorophenyl)-2-methylquinolin-4-yl]-3,6-dihydro-2H-pyridine-4-carbonitrile?
1-[8-(2,4-dichlorophenyl)-2-methylquinolin-4-yl]-3,6-dihydro-2H-pyridine-4-carbonitrile has a molecular weight of 394.31 g/mol, XLogP of 6.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(2,4-dichlorophenyl)-2-methylquinolin-4-yl]-3,6-dihydro-2H-pyridine-4-carbonitrile is sourced from PubChem (CID 22574429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).