4-amino-5,7-dimethylquinoline-3-carbonitrile

C12H11N3 — CID 62189882

IUPAC4-amino-5,7-dimethylquinoline-3-carbonitrile
SMILESCc1cc(C)c2c(N)c(C#N)cnc2c1
InChIInChI=1S/C12H11N3/c1-7-3-8(2)11-10(4-7)15-6-9(5-13)12(11)14/h3-4,6H,1-2H3,(H2,14,15)
InChIKeyNKDYNSRQDYWEKM-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.31
Rot. Bonds

About 4-amino-5,7-dimethylquinoline-3-carbonitrile

4-amino-5,7-dimethylquinoline-3-carbonitrile (PubChem CID 62189882) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-amino-5,7-dimethylquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-amino-5,7-dimethylquinoline-3-carbonitrile
PubChem CID62189882
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name4-amino-5,7-dimethylquinoline-3-carbonitrile
SMILESCc1cc(C)c2c(N)c(C#N)cnc2c1
InChIInChI=1S/C12H11N3/c1-7-3-8(2)11-10(4-7)15-6-9(5-13)12(11)14/h3-4,6H,1-2H3,(H2,14,15)
InChIKeyNKDYNSRQDYWEKM-UHFFFAOYSA-N
XLogP2.31
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5,8-difluoro-6-methylquinoline-3-carbonitrile
CID 103587302
6-amino-5-iodo-4-methylpyridine-3-carbonitrile
CID 131521959
6-amino-7-ethoxy-4-methylquinoline-3-carbonitrile
CID 89103315
4-amino-6-methyl-5-propylpyridine-3-carbonitrile
CID 170229484
1-amino-6-methylisoquinoline-4-carbonitrile
CID 84659038
4-amino-6-methoxypyridine-3-carbonitrile
CID 2786690
2-fluoro-5-methylpyridine-4-carbonitrile
CID 130133304
5-amino-2-methylpyridine-4-carbonitrile
CID 82593829
4-chloro-5-methylquinoline-3-carbonitrile
CID 134691913
6-ethoxy-4-methylpyridine-3-carbonitrile
CID 84618208
4,7-diamino-6-nitroquinoline-3-carbonitrile
CID 141088251
3,5,7-trimethylquinoline
CID 82111328

Frequently Asked Questions

What is the IUPAC name of 4-amino-5,7-dimethylquinoline-3-carbonitrile?
The IUPAC name of 4-amino-5,7-dimethylquinoline-3-carbonitrile (CID 62189882) is 4-amino-5,7-dimethylquinoline-3-carbonitrile.
What is the SMILES notation for 4-amino-5,7-dimethylquinoline-3-carbonitrile?
The canonical SMILES for 4-amino-5,7-dimethylquinoline-3-carbonitrile is Cc1cc(C)c2c(N)c(C#N)cnc2c1.
What is the InChIKey of 4-amino-5,7-dimethylquinoline-3-carbonitrile?
The InChIKey is NKDYNSRQDYWEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-7-3-8(2)11-10(4-7)15-6-9(5-13)12(11)14/h3-4,6H,1-2H3,(H2,14,15).
What are the key properties of 4-amino-5,7-dimethylquinoline-3-carbonitrile?
4-amino-5,7-dimethylquinoline-3-carbonitrile has a molecular weight of 197.24 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,7-dimethylquinoline-3-carbonitrile is sourced from PubChem (CID 62189882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).