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

C20H22Cl2N4O — CID 1267368

IUPAC(4R)-2-amino-4-(2,4-dichlorophenyl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
SMILESCN(C)N1C(N)=C(C#N)[C@@H](c2ccc(Cl)cc2Cl)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C20H22Cl2N4O/c1-20(2)8-15-18(16(27)9-20)17(12-6-5-11(21)7-14(12)22)13(10-23)19(24)26(15)25(3)4/h5-7,17H,8-9,24H2,1-4H3/t17-/m1/s1
InChIKeyQCBLRIYTCZUSSC-QGZVFWFLSA-N
MW405.33 g/mol
LogP4.21
Rot. Bonds2

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

(4R)-2-amino-4-(2,4-dichlorophenyl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile (PubChem CID 1267368) has the molecular formula C20H22Cl2N4O and a molecular weight of 405.33 g/mol. Its IUPAC name is (4R)-2-amino-4-(2,4-dichlorophenyl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-4-(2,4-dichlorophenyl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
PubChem CID1267368
Molecular FormulaC20H22Cl2N4O
Molecular Weight405.33 g/mol
Exact Mass404.12
IUPAC Name(4R)-2-amino-4-(2,4-dichlorophenyl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
SMILESCN(C)N1C(N)=C(C#N)[C@@H](c2ccc(Cl)cc2Cl)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C20H22Cl2N4O/c1-20(2)8-15-18(16(27)9-20)17(12-6-5-11(21)7-14(12)22)13(10-23)19(24)26(15)25(3)4/h5-7,17H,8-9,24H2,1-4H3/t17-/m1/s1
InChIKeyQCBLRIYTCZUSSC-QGZVFWFLSA-N
XLogP4.21
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(4S)-2-amino-4-(2,4-dichlorophenyl)-1-(dimethylamino)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1267131
(4S)-2-amino-1-(dimethylamino)-7,7-dimethyl-4-naphthalen-1-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 1267371
(4S)-2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 1024781
2-amino-1-(dimethylamino)-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 3862252
2-amino-1-(dimethylamino)-7,7-dimethyl-4-(3-methylthiophen-2-yl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 4024588
(4R)-2-amino-1-(dimethylamino)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 1316702
2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-(4-prop-2-enoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 3579738
(4R)-2-amino-4-(3-chlorophenyl)-1-(2,6-difluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 1045593
2-amino-1-(3-chloro-4-fluorophenyl)-4-(2,5-dimethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 4126353
(4S)-2-amino-4-(2-chlorophenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 2222121
2-amino-1-(3,5-dichlorophenyl)-4-(2-ethylsulfanylthiophen-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 22331090
2-amino-4-(2-chloro-6-fluorophenyl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 2969393

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-4-(2,4-dichlorophenyl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile?
The IUPAC name of (4R)-2-amino-4-(2,4-dichlorophenyl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile (CID 1267368) is (4R)-2-amino-4-(2,4-dichlorophenyl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
What is the SMILES notation for (4R)-2-amino-4-(2,4-dichlorophenyl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile?
The canonical SMILES for (4R)-2-amino-4-(2,4-dichlorophenyl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile is CN(C)N1C(N)=C(C#N)[C@@H](c2ccc(Cl)cc2Cl)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of (4R)-2-amino-4-(2,4-dichlorophenyl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile?
The InChIKey is QCBLRIYTCZUSSC-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22Cl2N4O/c1-20(2)8-15-18(16(27)9-20)17(12-6-5-11(21)7-14(12)22)13(10-23)19(24)26(15)25(3)4/h5-7,17H,8-9,24H2,1-4H3/t17-/m1/s1.
What are the key properties of (4R)-2-amino-4-(2,4-dichlorophenyl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile?
(4R)-2-amino-4-(2,4-dichlorophenyl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile has a molecular weight of 405.33 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-4-(2,4-dichlorophenyl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile is sourced from PubChem (CID 1267368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).