N-(3-chloro-4-methylphenyl)-3-methylcinnolin-4-amine

C16H14ClN3 — CID 23825149

IUPACN-(3-chloro-4-methylphenyl)-3-methylcinnolin-4-amine
SMILESCc1ccc(Nc2c(C)nnc3ccccc23)cc1Cl
InChIInChI=1S/C16H14ClN3/c1-10-7-8-12(9-14(10)17)18-16-11(2)19-20-15-6-4-3-5-13(15)16/h3-9H,1-2H3,(H,18,20)
InChIKeyYKEPRCCELUZELV-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.64
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)-3-methylcinnolin-4-amine

N-(3-chloro-4-methylphenyl)-3-methylcinnolin-4-amine (PubChem CID 23825149) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-methylcinnolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-methylcinnolin-4-amine
PubChem CID23825149
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC NameN-(3-chloro-4-methylphenyl)-3-methylcinnolin-4-amine
SMILESCc1ccc(Nc2c(C)nnc3ccccc23)cc1Cl
InChIInChI=1S/C16H14ClN3/c1-10-7-8-12(9-14(10)17)18-16-11(2)19-20-15-6-4-3-5-13(15)16/h3-9H,1-2H3,(H,18,20)
InChIKeyYKEPRCCELUZELV-UHFFFAOYSA-N
XLogP4.64
TPSA37.81 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 ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(3-chloro-4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
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4-chloro-N-(3-chloro-4-methylphenyl)-1,3-thiazol-2-amine
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-methylcinnolin-4-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-methylcinnolin-4-amine (CID 23825149) is N-(3-chloro-4-methylphenyl)-3-methylcinnolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-methylcinnolin-4-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-methylcinnolin-4-amine is Cc1ccc(Nc2c(C)nnc3ccccc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-methylcinnolin-4-amine?
The InChIKey is YKEPRCCELUZELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-10-7-8-12(9-14(10)17)18-16-11(2)19-20-15-6-4-3-5-13(15)16/h3-9H,1-2H3,(H,18,20).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-methylcinnolin-4-amine?
N-(3-chloro-4-methylphenyl)-3-methylcinnolin-4-amine has a molecular weight of 283.76 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-methylcinnolin-4-amine is sourced from PubChem (CID 23825149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).