2-amino-4-(2,5-dimethylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C18H19N3 — CID 4635452

IUPAC2-amino-4-(2,5-dimethylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1ccc(C)c(-c2c(C#N)c(N)nc3c2CCCC3)c1
InChIInChI=1S/C18H19N3/c1-11-7-8-12(2)14(9-11)17-13-5-3-4-6-16(13)21-18(20)15(17)10-19/h7-9H,3-6H2,1-2H3,(H2,20,21)
InChIKeyGCJYFSTYDUFDKL-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.70
Rot. Bonds1

About 2-amino-4-(2,5-dimethylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-amino-4-(2,5-dimethylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 4635452) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-amino-4-(2,5-dimethylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2,5-dimethylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID4635452
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name2-amino-4-(2,5-dimethylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1ccc(C)c(-c2c(C#N)c(N)nc3c2CCCC3)c1
InChIInChI=1S/C18H19N3/c1-11-7-8-12(2)14(9-11)17-13-5-3-4-6-16(13)21-18(20)15(17)10-19/h7-9H,3-6H2,1-2H3,(H2,20,21)
InChIKeyGCJYFSTYDUFDKL-UHFFFAOYSA-N
XLogP3.70
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(3-methylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 5153636
2-amino-4-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4635818
2-amino-4-(2,5-dimethoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
CID 5156796
2-amino-4-(5-methylfuran-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 2047114
2-amino-4-(3,5-dibromo-2-hydroxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 137127502
2-amino-4-(4-ethylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 4636171
2-amino-4-(4-hydroxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 679342
2-amino-4-(3-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4528748
2-amino-4,6-bis(2,5-dimethylphenyl)pyridine-3-carbonitrile
CID 3513608
2-amino-4-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4635461
2-amino-4-(1-benzothiophen-3-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 135121504
2-amino-4-(4-bromo-5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 1078801

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,5-dimethylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(2,5-dimethylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 4635452) is 2-amino-4-(2,5-dimethylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2,5-dimethylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2,5-dimethylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is Cc1ccc(C)c(-c2c(C#N)c(N)nc3c2CCCC3)c1.
What is the InChIKey of 2-amino-4-(2,5-dimethylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is GCJYFSTYDUFDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-11-7-8-12(2)14(9-11)17-13-5-3-4-6-16(13)21-18(20)15(17)10-19/h7-9H,3-6H2,1-2H3,(H2,20,21).
What are the key properties of 2-amino-4-(2,5-dimethylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-4-(2,5-dimethylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 277.37 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,5-dimethylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 4635452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).