N-(2-chlorophenyl)-6,7-dimethoxycinnolin-4-amine

C16H14ClN3O2 — CID 69368648

IUPACN-(2-chlorophenyl)-6,7-dimethoxycinnolin-4-amine
SMILESCOc1cc2nncc(Nc3ccccc3Cl)c2cc1OC
InChIInChI=1S/C16H14ClN3O2/c1-21-15-7-10-13(8-16(15)22-2)20-18-9-14(10)19-12-6-4-3-5-11(12)17/h3-9H,1-2H3,(H,19,20)
InChIKeyXYSGGMTZYPREJM-UHFFFAOYSA-N
MW315.76 g/mol
LogP4.04
Rot. Bonds4

About N-(2-chlorophenyl)-6,7-dimethoxycinnolin-4-amine

N-(2-chlorophenyl)-6,7-dimethoxycinnolin-4-amine (PubChem CID 69368648) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6,7-dimethoxycinnolin-4-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6,7-dimethoxycinnolin-4-amine
PubChem CID69368648
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC NameN-(2-chlorophenyl)-6,7-dimethoxycinnolin-4-amine
SMILESCOc1cc2nncc(Nc3ccccc3Cl)c2cc1OC
InChIInChI=1S/C16H14ClN3O2/c1-21-15-7-10-13(8-16(15)22-2)20-18-9-14(10)19-12-6-4-3-5-11(12)17/h3-9H,1-2H3,(H,19,20)
InChIKeyXYSGGMTZYPREJM-UHFFFAOYSA-N
XLogP4.04
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2-chlorophenyl)-2-methoxyaniline
CID 82536966
3-N-(2-chlorophenyl)-5-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112965783
N-(2-chlorophenyl)-2-methoxy-4-methylaniline
CID 142713030
3-N-(2-chlorophenyl)-5-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112965788
7-(2-chloroethoxy)-N-(2-chlorophenyl)-6-methoxy-3-nitroquinolin-4-amine
CID 175295327
6,7-dimethoxy-4-methylcinnoline;propane
CID 163274775
N-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine
CID 53264749
N-[4-(2-chloroanilino)phenyl]-3,4-dimethoxybenzamide
CID 112986928
4-(2,3-dichloroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328902
N-[4-(2-chloroanilino)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 112986934
N-methylcinnolin-4-amine
CID 6412705
2-anilino-6,7-dimethoxy-3,1-benzothiazin-4-one
CID 110193650

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6,7-dimethoxycinnolin-4-amine?
The IUPAC name of N-(2-chlorophenyl)-6,7-dimethoxycinnolin-4-amine (CID 69368648) is N-(2-chlorophenyl)-6,7-dimethoxycinnolin-4-amine.
What is the SMILES notation for N-(2-chlorophenyl)-6,7-dimethoxycinnolin-4-amine?
The canonical SMILES for N-(2-chlorophenyl)-6,7-dimethoxycinnolin-4-amine is COc1cc2nncc(Nc3ccccc3Cl)c2cc1OC.
What is the InChIKey of N-(2-chlorophenyl)-6,7-dimethoxycinnolin-4-amine?
The InChIKey is XYSGGMTZYPREJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-21-15-7-10-13(8-16(15)22-2)20-18-9-14(10)19-12-6-4-3-5-11(12)17/h3-9H,1-2H3,(H,19,20).
What are the key properties of N-(2-chlorophenyl)-6,7-dimethoxycinnolin-4-amine?
N-(2-chlorophenyl)-6,7-dimethoxycinnolin-4-amine has a molecular weight of 315.76 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6,7-dimethoxycinnolin-4-amine is sourced from PubChem (CID 69368648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).