2-amino-8-chloro-4-(2,2-dimethylpropylamino)quinoline-3-carbonitrile

C15H17ClN4 — CID 175993712

IUPAC2-amino-8-chloro-4-(2,2-dimethylpropylamino)quinoline-3-carbonitrile
SMILESCC(C)(C)CNc1c(C#N)c(N)nc2c(Cl)cccc12
InChIInChI=1S/C15H17ClN4/c1-15(2,3)8-19-12-9-5-4-6-11(16)13(9)20-14(18)10(12)7-17/h4-6H,8H2,1-3H3,(H3,18,19,20)
InChIKeyCUAZREJVHJHOMA-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.80
Rot. Bonds2

About 2-amino-8-chloro-4-(2,2-dimethylpropylamino)quinoline-3-carbonitrile

2-amino-8-chloro-4-(2,2-dimethylpropylamino)quinoline-3-carbonitrile (PubChem CID 175993712) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-amino-8-chloro-4-(2,2-dimethylpropylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-8-chloro-4-(2,2-dimethylpropylamino)quinoline-3-carbonitrile
PubChem CID175993712
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name2-amino-8-chloro-4-(2,2-dimethylpropylamino)quinoline-3-carbonitrile
SMILESCC(C)(C)CNc1c(C#N)c(N)nc2c(Cl)cccc12
InChIInChI=1S/C15H17ClN4/c1-15(2,3)8-19-12-9-5-4-6-11(16)13(9)20-14(18)10(12)7-17/h4-6H,8H2,1-3H3,(H3,18,19,20)
InChIKeyCUAZREJVHJHOMA-UHFFFAOYSA-N
XLogP3.80
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-chloro-4-(2,2-dimethylpropylamino)quinoline-3-carbonitrile?
The IUPAC name of 2-amino-8-chloro-4-(2,2-dimethylpropylamino)quinoline-3-carbonitrile (CID 175993712) is 2-amino-8-chloro-4-(2,2-dimethylpropylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-8-chloro-4-(2,2-dimethylpropylamino)quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-8-chloro-4-(2,2-dimethylpropylamino)quinoline-3-carbonitrile is CC(C)(C)CNc1c(C#N)c(N)nc2c(Cl)cccc12.
What is the InChIKey of 2-amino-8-chloro-4-(2,2-dimethylpropylamino)quinoline-3-carbonitrile?
The InChIKey is CUAZREJVHJHOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c1-15(2,3)8-19-12-9-5-4-6-11(16)13(9)20-14(18)10(12)7-17/h4-6H,8H2,1-3H3,(H3,18,19,20).
What are the key properties of 2-amino-8-chloro-4-(2,2-dimethylpropylamino)quinoline-3-carbonitrile?
2-amino-8-chloro-4-(2,2-dimethylpropylamino)quinoline-3-carbonitrile has a molecular weight of 288.78 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-chloro-4-(2,2-dimethylpropylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 175993712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).