7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile

C22H18ClN3O — CID 2864129

IUPAC7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
SMILESCC1=C(C#N)C(c2cccnc2)C2=C(CC(c3ccc(Cl)cc3)CC2=O)N1
InChIInChI=1S/C22H18ClN3O/c1-13-18(11-24)21(15-3-2-8-25-12-15)22-19(26-13)9-16(10-20(22)27)14-4-6-17(23)7-5-14/h2-8,12,16,21,26H,9-10H2,1H3
InChIKeyMIHMFOCWQWUHAJ-UHFFFAOYSA-N
MW375.86 g/mol
LogP4.62
Rot. Bonds2

About 7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile

7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile (PubChem CID 2864129) has the molecular formula C22H18ClN3O and a molecular weight of 375.86 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
PubChem CID2864129
Molecular FormulaC22H18ClN3O
Molecular Weight375.86 g/mol
Exact Mass375.11
IUPAC Name7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
SMILESCC1=C(C#N)C(c2cccnc2)C2=C(CC(c3ccc(Cl)cc3)CC2=O)N1
InChIInChI=1S/C22H18ClN3O/c1-13-18(11-24)21(15-3-2-8-25-12-15)22-19(26-13)9-16(10-20(22)27)14-4-6-17(23)7-5-14/h2-8,12,16,21,26H,9-10H2,1H3
InChIKeyMIHMFOCWQWUHAJ-UHFFFAOYSA-N
XLogP4.62
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
The IUPAC name of 7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile (CID 2864129) is 7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
The canonical SMILES for 7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile is CC1=C(C#N)C(c2cccnc2)C2=C(CC(c3ccc(Cl)cc3)CC2=O)N1.
What is the InChIKey of 7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
The InChIKey is MIHMFOCWQWUHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O/c1-13-18(11-24)21(15-3-2-8-25-12-15)22-19(26-13)9-16(10-20(22)27)14-4-6-17(23)7-5-14/h2-8,12,16,21,26H,9-10H2,1H3.
What are the key properties of 7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile has a molecular weight of 375.86 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 2864129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).