2-amino-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C16H15N3 — CID 754150

IUPAC2-amino-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1ccccc1)CCCC2
InChIInChI=1S/C16H15N3/c17-10-13-15(11-6-2-1-3-7-11)12-8-4-5-9-14(12)19-16(13)18/h1-3,6-7H,4-5,8-9H2,(H2,18,19)
InChIKeyMAOPIIGFJUIBSL-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.08
Rot. Bonds1

About 2-amino-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-amino-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 754150) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-amino-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID754150
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name2-amino-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1ccccc1)CCCC2
InChIInChI=1S/C16H15N3/c17-10-13-15(11-6-2-1-3-7-11)12-8-4-5-9-14(12)19-16(13)18/h1-3,6-7H,4-5,8-9H2,(H2,18,19)
InChIKeyMAOPIIGFJUIBSL-UHFFFAOYSA-N
XLogP3.08
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Aminoquinoline
CID 11379
2-Aminoquinoline-3-carbonitrile
CID 268505
ST001233
CID 610514
2-Amino-4,6-diphenylpyridine-3-carbonitrile
CID 668105
2-Amino-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile
CID 695136
4-Amino-2,6-diphenylpyrimidine-5-carbonitrile
CID 2303947
2-Amino-4,6-dimethyl-3-pyridinecarbonitrile
CID 230471
4-Methylquinolin-2-amine
CID 231935
6-Aminophenanthridine
CID 160547
4-(4-Methylphenyl)-6-phenylpyridin-2-amine
CID 2113077
5,6,7,8-Tetrahydroquinolin-2-amine
CID 10034772
3,5-Bis[2-(6-Amino-4-Methylpyridin-2-Yl)ethyl]benzonitrile
CID 71254035

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 754150) is 2-amino-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is N#Cc1c(N)nc2c(c1-c1ccccc1)CCCC2.
What is the InChIKey of 2-amino-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is MAOPIIGFJUIBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c17-10-13-15(11-6-2-1-3-7-11)12-8-4-5-9-14(12)19-16(13)18/h1-3,6-7H,4-5,8-9H2,(H2,18,19).
What are the key properties of 2-amino-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 249.32 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 754150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).