(7-chloroquinolin-4-yl)-[(2-methylphenyl)methyl]diazene

C17H14ClN3 — CID 91896899

IUPAC(7-chloroquinolin-4-yl)-[(2-methylphenyl)methyl]diazene
SMILESCc1ccccc1C/N=N/c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C17H14ClN3/c1-12-4-2-3-5-13(12)11-20-21-16-8-9-19-17-10-14(18)6-7-15(16)17/h2-10H,11H2,1H3/b21-20+
InChIKeyZTSGVRZWCHQPAS-QZQOTICOSA-N
MW295.77 g/mol
LogP5.48
Rot. Bonds3

About (7-chloroquinolin-4-yl)-[(2-methylphenyl)methyl]diazene

(7-chloroquinolin-4-yl)-[(2-methylphenyl)methyl]diazene (PubChem CID 91896899) has the molecular formula C17H14ClN3 and a molecular weight of 295.77 g/mol. Its IUPAC name is (7-chloroquinolin-4-yl)-[(2-methylphenyl)methyl]diazene.

Molecular Properties

Compound Name(7-chloroquinolin-4-yl)-[(2-methylphenyl)methyl]diazene
PubChem CID91896899
Molecular FormulaC17H14ClN3
Molecular Weight295.77 g/mol
Exact Mass295.09
IUPAC Name(7-chloroquinolin-4-yl)-[(2-methylphenyl)methyl]diazene
SMILESCc1ccccc1C/N=N/c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C17H14ClN3/c1-12-4-2-3-5-13(12)11-20-21-16-8-9-19-17-10-14(18)6-7-15(16)17/h2-10H,11H2,1H3/b21-20+
InChIKeyZTSGVRZWCHQPAS-QZQOTICOSA-N
XLogP5.48
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.77
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-[[(7-chloroquinolin-4-yl)diazenyl]methyl]benzonitrile
CID 91136675
4,7-dichloroquinoline
CID 6866
7-chloro-N-(2,6-dimethylphenyl)quinolin-4-amine
CID 134151417
N-[2-(aminomethyl)phenyl]-7-chloroquinolin-4-amine
CID 63765703
7-chloro-4-(2-methylpropyl)quinoline
CID 57147452
benzyl-(4-chloro-2-methylphenyl)diazene
CID 54063455
N-(3-chloro-2-methylphenyl)-2-[(7-chloroquinolin-4-yl)amino]acetamide
CID 9339333
7-chloro-N-[3-(diethylaminomethyl)-4-methylphenyl]quinolin-4-amine
CID 24774700
7-chloro-N-[(1S)-1-(2-chlorophenyl)ethyl]quinolin-4-amine
CID 7830951
2-(7-chloroquinolin-4-yl)acetonitrile
CID 63203863
7-chloro-4-(cyclohexylmethyl)quinoline
CID 122374976
7-chloro-N-(1-chloro-2-methylpropan-2-yl)quinolin-4-amine
CID 65027745

Frequently Asked Questions

What is the IUPAC name of (7-chloroquinolin-4-yl)-[(2-methylphenyl)methyl]diazene?
The IUPAC name of (7-chloroquinolin-4-yl)-[(2-methylphenyl)methyl]diazene (CID 91896899) is (7-chloroquinolin-4-yl)-[(2-methylphenyl)methyl]diazene.
What is the SMILES notation for (7-chloroquinolin-4-yl)-[(2-methylphenyl)methyl]diazene?
The canonical SMILES for (7-chloroquinolin-4-yl)-[(2-methylphenyl)methyl]diazene is Cc1ccccc1C/N=N/c1ccnc2cc(Cl)ccc12.
What is the InChIKey of (7-chloroquinolin-4-yl)-[(2-methylphenyl)methyl]diazene?
The InChIKey is ZTSGVRZWCHQPAS-QZQOTICOSA-N. The full InChI is InChI=1S/C17H14ClN3/c1-12-4-2-3-5-13(12)11-20-21-16-8-9-19-17-10-14(18)6-7-15(16)17/h2-10H,11H2,1H3/b21-20+.
What are the key properties of (7-chloroquinolin-4-yl)-[(2-methylphenyl)methyl]diazene?
(7-chloroquinolin-4-yl)-[(2-methylphenyl)methyl]diazene has a molecular weight of 295.77 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloroquinolin-4-yl)-[(2-methylphenyl)methyl]diazene is sourced from PubChem (CID 91896899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).