4-(4-chlorophenyl)-2-(methylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C17H16ClN3 — CID 56933567

IUPAC4-(4-chlorophenyl)-2-(methylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCNc1nc2c(c(-c3ccc(Cl)cc3)c1C#N)CCCC2
InChIInChI=1S/C17H16ClN3/c1-20-17-14(10-19)16(11-6-8-12(18)9-7-11)13-4-2-3-5-15(13)21-17/h6-9H,2-5H2,1H3,(H,20,21)
InChIKeyVQZSGDVBVRSOBI-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.19
Rot. Bonds2

About 4-(4-chlorophenyl)-2-(methylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

4-(4-chlorophenyl)-2-(methylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 56933567) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(methylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(methylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID56933567
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name4-(4-chlorophenyl)-2-(methylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCNc1nc2c(c(-c3ccc(Cl)cc3)c1C#N)CCCC2
InChIInChI=1S/C17H16ClN3/c1-20-17-14(10-19)16(11-6-8-12(18)9-7-11)13-4-2-3-5-15(13)21-17/h6-9H,2-5H2,1H3,(H,20,21)
InChIKeyVQZSGDVBVRSOBI-UHFFFAOYSA-N
XLogP4.19
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chlorophenyl)-2-(methylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 56933566
2-(4-chlorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62192291
N-(3-cyano-4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)acetamide
CID 711450
2-amino-4-(4-ethylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 4636171
3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
CID 14113240
2-amino-4-(4-hydroxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 679342
2-amino-4-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 4636172
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4304195
4-(4-methoxyphenyl)-2-(3-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 56933964
2-(benzylamino)-4-(4-bromophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 139087167
2-(3,5-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63479501
2-(4-cyanophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 16723952

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(methylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 4-(4-chlorophenyl)-2-(methylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 56933567) is 4-(4-chlorophenyl)-2-(methylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(methylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 4-(4-chlorophenyl)-2-(methylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is CNc1nc2c(c(-c3ccc(Cl)cc3)c1C#N)CCCC2.
What is the InChIKey of 4-(4-chlorophenyl)-2-(methylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is VQZSGDVBVRSOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-20-17-14(10-19)16(11-6-8-12(18)9-7-11)13-4-2-3-5-15(13)21-17/h6-9H,2-5H2,1H3,(H,20,21).
What are the key properties of 4-(4-chlorophenyl)-2-(methylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
4-(4-chlorophenyl)-2-(methylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 297.79 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(methylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 56933567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).