2-chloro-4-cinnolin-4-yloxyaniline

C14H10ClN3O — CID 55213191

IUPAC2-chloro-4-cinnolin-4-yloxyaniline
SMILESNc1ccc(Oc2cnnc3ccccc23)cc1Cl
InChIInChI=1S/C14H10ClN3O/c15-11-7-9(5-6-12(11)16)19-14-8-17-18-13-4-2-1-3-10(13)14/h1-8H,16H2
InChIKeyJKYKWGNNDOHCAN-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.66
Rot. Bonds2

About 2-chloro-4-cinnolin-4-yloxyaniline

2-chloro-4-cinnolin-4-yloxyaniline (PubChem CID 55213191) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 2-chloro-4-cinnolin-4-yloxyaniline.

Molecular Properties

Compound Name2-chloro-4-cinnolin-4-yloxyaniline
PubChem CID55213191
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name2-chloro-4-cinnolin-4-yloxyaniline
SMILESNc1ccc(Oc2cnnc3ccccc23)cc1Cl
InChIInChI=1S/C14H10ClN3O/c15-11-7-9(5-6-12(11)16)19-14-8-17-18-13-4-2-1-3-10(13)14/h1-8H,16H2
InChIKeyJKYKWGNNDOHCAN-UHFFFAOYSA-N
XLogP3.66
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-cinnolin-4-yloxyaniline
CID 63586759
4-cinnolin-4-yloxy-2-fluorobenzoic acid
CID 107677502
4-(2-bromo-4-methoxyphenoxy)cinnoline
CID 104707553
2-chloro-4-naphthalen-2-yloxyaniline
CID 175197159
[4-(3,4-dichlorophenoxy)quinolin-2-yl]methanamine
CID 63377726
cinnolin-4-amine;hydrochloride
CID 171504338
4-(4-bromo-2-propan-2-ylphenoxy)cinnoline
CID 115402133
(4-cinnolin-4-yloxy-3-fluorophenyl)methanamine
CID 107667255
2-chloro-4-[(5-chloro-3-pyridinyl)oxy]aniline
CID 22148760
[4-(4-amino-3-chlorophenoxy)-7-phenylmethoxyquinolin-6-yl]methanol
CID 89377978
2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane
CID 142885243
6-nitro-4-phenoxycinnoline
CID 22252590

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cinnolin-4-yloxyaniline?
The IUPAC name of 2-chloro-4-cinnolin-4-yloxyaniline (CID 55213191) is 2-chloro-4-cinnolin-4-yloxyaniline.
What is the SMILES notation for 2-chloro-4-cinnolin-4-yloxyaniline?
The canonical SMILES for 2-chloro-4-cinnolin-4-yloxyaniline is Nc1ccc(Oc2cnnc3ccccc23)cc1Cl.
What is the InChIKey of 2-chloro-4-cinnolin-4-yloxyaniline?
The InChIKey is JKYKWGNNDOHCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-11-7-9(5-6-12(11)16)19-14-8-17-18-13-4-2-1-3-10(13)14/h1-8H,16H2.
What are the key properties of 2-chloro-4-cinnolin-4-yloxyaniline?
2-chloro-4-cinnolin-4-yloxyaniline has a molecular weight of 271.71 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cinnolin-4-yloxyaniline is sourced from PubChem (CID 55213191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).