2-amino-7,7-dimethyl-5-oxo-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile

C17H18N4O — CID 24850963

IUPAC2-amino-7,7-dimethyl-5-oxo-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile
SMILESCC1(C)CC(=O)C2=C(C1)NC(N)=C(C#N)C2c1ccncc1
InChIInChI=1S/C17H18N4O/c1-17(2)7-12-15(13(22)8-17)14(10-3-5-20-6-4-10)11(9-18)16(19)21-12/h3-6,14,21H,7-8,19H2,1-2H3
InChIKeyUGOHRMBPPRWOAG-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.11
Rot. Bonds1

About 2-amino-7,7-dimethyl-5-oxo-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile

2-amino-7,7-dimethyl-5-oxo-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 24850963) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-amino-7,7-dimethyl-5-oxo-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7,7-dimethyl-5-oxo-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile
PubChem CID24850963
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-amino-7,7-dimethyl-5-oxo-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile
SMILESCC1(C)CC(=O)C2=C(C1)NC(N)=C(C#N)C2c1ccncc1
InChIInChI=1S/C17H18N4O/c1-17(2)7-12-15(13(22)8-17)14(10-3-5-20-6-4-10)11(9-18)16(19)21-12/h3-6,14,21H,7-8,19H2,1-2H3
InChIKeyUGOHRMBPPRWOAG-UHFFFAOYSA-N
XLogP2.11
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-7,7-dimethyl-5-oxo-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

MS 857
CID 129517
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
7-(4-Chlorophenyl)-2-methyl-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CID 2864129
5,5-Dimethyl-3-(pyridin-4-ylmethylamino)cyclohex-2-en-1-one
CID 658329
5,5-Dimethyl-3-[(3-pyridinylmethyl)amino]-2-cyclohexen-1-one
CID 2837108
2-Amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 2907787
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
6-amino-2-methyl-8-(pyridin-4-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
CID 657666

Frequently Asked Questions

What is the IUPAC name of 2-amino-7,7-dimethyl-5-oxo-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-7,7-dimethyl-5-oxo-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile (CID 24850963) is 2-amino-7,7-dimethyl-5-oxo-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-7,7-dimethyl-5-oxo-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-7,7-dimethyl-5-oxo-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile is CC1(C)CC(=O)C2=C(C1)NC(N)=C(C#N)C2c1ccncc1.
What is the InChIKey of 2-amino-7,7-dimethyl-5-oxo-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is UGOHRMBPPRWOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-17(2)7-12-15(13(22)8-17)14(10-3-5-20-6-4-10)11(9-18)16(19)21-12/h3-6,14,21H,7-8,19H2,1-2H3.
What are the key properties of 2-amino-7,7-dimethyl-5-oxo-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile?
2-amino-7,7-dimethyl-5-oxo-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7,7-dimethyl-5-oxo-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 24850963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).