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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Related Compounds

4-(2,2-dimethylpropylamino)-2-iodoquinoline-3-carbonitrile
CID 140819726
4-(2,2-dimethylpropylamino)-2-methoxyquinoline-3-carbonitrile
CID 140819707
2-amino-4-(2-chlorophenyl)benzo[h]quinoline-3-carbonitrile
CID 16681031
8-chloro-2-ethyl-3-phenylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile
CID 144852752
2-(aminomethyl)-8-chloroquinazolin-4-amine
CID 105462502
2-amino-4-(2,6-dichlorophenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 4633995
3-chloro-1-N-(2,2-dimethylpropyl)benzene-1,2-diamine
CID 104834204
4-(2,2-dimethylpropylamino)-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile
CID 140819464
8-chloro-N-(2,2-dimethylpropyl)quinolin-5-amine
CID 61323719
2,4-diamino-6-[1-[8-chloro-3-(3,5-difluorophenyl)-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 90234971
2-amino-4-[[(1S)-1-[8-chloro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]ethyl]amino]-6-(difluoromethyl)pyrimidine-5-carbonitrile
CID 118575702
2,8-dichloro-4-ethylquinazoline
CID 105484309

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).