2-amino-1-(dimethylamino)-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile

C19H22N4O2 — CID 3432952

IUPAC2-amino-1-(dimethylamino)-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCOc1cccc(C2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)c1
InChIInChI=1S/C19H22N4O2/c1-22(2)23-15-8-5-9-16(24)18(15)17(14(11-20)19(23)21)12-6-4-7-13(10-12)25-3/h4,6-7,10,17H,5,8-9,21H2,1-3H3
InChIKeyOAIGXYYMIZKQIA-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.27
Rot. Bonds3

About 2-amino-1-(dimethylamino)-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile

2-amino-1-(dimethylamino)-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 3432952) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-amino-1-(dimethylamino)-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(dimethylamino)-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID3432952
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-amino-1-(dimethylamino)-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCOc1cccc(C2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)c1
InChIInChI=1S/C19H22N4O2/c1-22(2)23-15-8-5-9-16(24)18(15)17(14(11-20)19(23)21)12-6-4-7-13(10-12)25-3/h4,6-7,10,17H,5,8-9,21H2,1-3H3
InChIKeyOAIGXYYMIZKQIA-UHFFFAOYSA-N
XLogP2.27
TPSA82.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(dimethylamino)-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-1-(dimethylamino)-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 3432952) is 2-amino-1-(dimethylamino)-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-1-(dimethylamino)-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-1-(dimethylamino)-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile is COc1cccc(C2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)c1.
What is the InChIKey of 2-amino-1-(dimethylamino)-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is OAIGXYYMIZKQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-22(2)23-15-8-5-9-16(24)18(15)17(14(11-20)19(23)21)12-6-4-7-13(10-12)25-3/h4,6-7,10,17H,5,8-9,21H2,1-3H3.
What are the key properties of 2-amino-1-(dimethylamino)-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-1-(dimethylamino)-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 338.41 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(dimethylamino)-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 3432952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).