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

C20H24N4O — CID 4656101

IUPAC2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile
SMILESCN(C)N1C(N)=C(C#N)C(c2ccccc2)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C20H24N4O/c1-20(2)10-15-18(16(25)11-20)17(13-8-6-5-7-9-13)14(12-21)19(22)24(15)23(3)4/h5-9,17H,10-11,22H2,1-4H3
InChIKeyLDPUYGQQFCGHDS-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.90
Rot. Bonds2

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

2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile (PubChem CID 4656101) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile
PubChem CID4656101
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile
SMILESCN(C)N1C(N)=C(C#N)C(c2ccccc2)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C20H24N4O/c1-20(2)10-15-18(16(25)11-20)17(13-8-6-5-7-9-13)14(12-21)19(22)24(15)23(3)4/h5-9,17H,10-11,22H2,1-4H3
InChIKeyLDPUYGQQFCGHDS-UHFFFAOYSA-N
XLogP2.90
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The IUPAC name of 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile (CID 4656101) is 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile is CN(C)N1C(N)=C(C#N)C(c2ccccc2)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The InChIKey is LDPUYGQQFCGHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-20(2)10-15-18(16(25)11-20)17(13-8-6-5-7-9-13)14(12-21)19(22)24(15)23(3)4/h5-9,17H,10-11,22H2,1-4H3.
What are the key properties of 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile?
2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile has a molecular weight of 336.44 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile is sourced from PubChem (CID 4656101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).