2-chloro-5-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzonitrile

C16H14ClN3 — CID 79079725

IUPAC2-chloro-5-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzonitrile
SMILESN#Cc1cc(NC2CCCc3cccnc32)ccc1Cl
InChIInChI=1S/C16H14ClN3/c17-14-7-6-13(9-12(14)10-18)20-15-5-1-3-11-4-2-8-19-16(11)15/h2,4,6-9,15,20H,1,3,5H2
InChIKeyQNDAXNQWJUQXIS-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.10
Rot. Bonds2

About 2-chloro-5-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzonitrile

2-chloro-5-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzonitrile (PubChem CID 79079725) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-chloro-5-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzonitrile.

Molecular Properties

Compound Name2-chloro-5-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzonitrile
PubChem CID79079725
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name2-chloro-5-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzonitrile
SMILESN#Cc1cc(NC2CCCc3cccnc32)ccc1Cl
InChIInChI=1S/C16H14ClN3/c17-14-7-6-13(9-12(14)10-18)20-15-5-1-3-11-4-2-8-19-16(11)15/h2,4,6-9,15,20H,1,3,5H2
InChIKeyQNDAXNQWJUQXIS-UHFFFAOYSA-N
XLogP4.10
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2,6-dichlorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079828
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzonitrile
CID 102772599
2-chloro-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzonitrile
CID 55121857
N-(1H-indazol-6-yl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078553
N-(3-chloro-4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774146
N-(5-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 107584839
N-(2,5-difluorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079820
2-N,2-N-dimethyl-5-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyridine-2,5-diamine
CID 79080303
2-chloro-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzamide
CID 102773264
3-fluoro-4-methyl-5-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzonitrile
CID 79079890
(8S)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 58985331
N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
CID 145471491

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzonitrile?
The IUPAC name of 2-chloro-5-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzonitrile (CID 79079725) is 2-chloro-5-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzonitrile.
What is the SMILES notation for 2-chloro-5-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzonitrile?
The canonical SMILES for 2-chloro-5-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzonitrile is N#Cc1cc(NC2CCCc3cccnc32)ccc1Cl.
What is the InChIKey of 2-chloro-5-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzonitrile?
The InChIKey is QNDAXNQWJUQXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c17-14-7-6-13(9-12(14)10-18)20-15-5-1-3-11-4-2-8-19-16(11)15/h2,4,6-9,15,20H,1,3,5H2.
What are the key properties of 2-chloro-5-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzonitrile?
2-chloro-5-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzonitrile has a molecular weight of 283.76 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzonitrile is sourced from PubChem (CID 79079725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).