2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile

C19H23N5O — CID 2907787

IUPAC2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
SMILESCN(C)N1C(N)=C(C#N)C(c2cccnc2)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C19H23N5O/c1-19(2)8-14-17(15(25)9-19)16(12-6-5-7-22-11-12)13(10-20)18(21)24(14)23(3)4/h5-7,11,16H,8-9,21H2,1-4H3
InChIKeyJSNSUHXPKBLWLK-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.29
Rot. Bonds2

About 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile

2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile (PubChem CID 2907787) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
PubChem CID2907787
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
SMILESCN(C)N1C(N)=C(C#N)C(c2cccnc2)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C19H23N5O/c1-19(2)8-14-17(15(25)9-19)16(12-6-5-7-22-11-12)13(10-20)18(21)24(14)23(3)4/h5-7,11,16H,8-9,21H2,1-4H3
InChIKeyJSNSUHXPKBLWLK-UHFFFAOYSA-N
XLogP2.29
TPSA86.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,7,7-Trimethyl-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CID 2766175
2-Amino-7,7-dimethyl-5-oxo-1-phenyl-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 3236334
2-Amino-1-(4-methylphenyl)-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 3236409
2-Amino-1-(4-bromophenyl)-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 3239715
2-Amino-7,7-dimethyl-5-oxo-4-(3-pyridinyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 612574
3,7,7-trimethyl-4-(pyridin-2-yl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one (5)
CID 52972612
3,7,7-trimethyl-4-(pyridin-4-yl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one (7)
CID 52972614
3,7,7-trimethyl-4-(pyridin-3-yl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one (6)
CID 121237844
2-Amino-4-(2,4-dimethylphenyl)-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CID 2950282
2-Amino-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 2969258
2-Amino-1-(dimethylamino)-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 3848139
7,7-dimethyl-4-pyridin-3-yl-3-(trifluoromethyl)-2,3,3a,4,6,8,9,9a-octahydro-1H-pyrazolo[3,4-b]quinolin-5-one
CID 137554317

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The IUPAC name of 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile (CID 2907787) is 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile is CN(C)N1C(N)=C(C#N)C(c2cccnc2)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The InChIKey is JSNSUHXPKBLWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-19(2)8-14-17(15(25)9-19)16(12-6-5-7-22-11-12)13(10-20)18(21)24(14)23(3)4/h5-7,11,16H,8-9,21H2,1-4H3.
What are the key properties of 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile?
2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile has a molecular weight of 337.43 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile is sourced from PubChem (CID 2907787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).