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

C25H25N3O2 — CID 139231490

IUPAC4-amino-2-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-2H-quinoline-3-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(N)C3=C(CC(C)(C)CC3=O)N2c2ccccc2)cc1
InChIInChI=1S/C25H25N3O2/c1-25(2)13-20-22(21(29)14-25)23(27)19(15-26)24(16-9-11-18(30-3)12-10-16)28(20)17-7-5-4-6-8-17/h4-12,24H,13-14,27H2,1-3H3
InChIKeyNSIDFDFWYNKVFB-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.64
Rot. Bonds3

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

4-amino-2-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-2H-quinoline-3-carbonitrile (PubChem CID 139231490) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 4-amino-2-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-2H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-2H-quinoline-3-carbonitrile
PubChem CID139231490
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name4-amino-2-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-2H-quinoline-3-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(N)C3=C(CC(C)(C)CC3=O)N2c2ccccc2)cc1
InChIInChI=1S/C25H25N3O2/c1-25(2)13-20-22(21(29)14-25)23(27)19(15-26)24(16-9-11-18(30-3)12-10-16)28(20)17-7-5-4-6-8-17/h4-12,24H,13-14,27H2,1-3H3
InChIKeyNSIDFDFWYNKVFB-UHFFFAOYSA-N
XLogP4.64
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

4-amino-2-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-2H-chromene-3-carbonitrile
CID 3603149
(4R)-2-amino-4-(4-fluorophenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 1041356
(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-4-(4-ethylphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile;ethanol
CID 90484539
(4S)-2-amino-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-4-thiophen-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 1248026
4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-2-sulfanyl-6,8-dihydro-4H-chromene-3-carbonitrile
CID 3302837
5-amino-1,7-bis(4-methoxyphenyl)-3-oxo-2-phenyl-1H-isoindole-4,6-dicarbonitrile
CID 139234554
(4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione
CID 23636202
7,7-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one
CID 162676723
2-amino-1-(dimethylamino)-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 3862252
(4S)-2-amino-1-(2-methoxyethyl)-7,7-dimethyl-5-oxo-4-(4-phenylmethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 126132488
(4S)-2-amino-1-(2-methoxyethyl)-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 126138865

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-2H-quinoline-3-carbonitrile?
The IUPAC name of 4-amino-2-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-2H-quinoline-3-carbonitrile (CID 139231490) is 4-amino-2-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-2H-quinoline-3-carbonitrile.
What is the SMILES notation for 4-amino-2-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-2H-quinoline-3-carbonitrile?
The canonical SMILES for 4-amino-2-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-2H-quinoline-3-carbonitrile is COc1ccc(C2C(C#N)=C(N)C3=C(CC(C)(C)CC3=O)N2c2ccccc2)cc1.
What is the InChIKey of 4-amino-2-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-2H-quinoline-3-carbonitrile?
The InChIKey is NSIDFDFWYNKVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-25(2)13-20-22(21(29)14-25)23(27)19(15-26)24(16-9-11-18(30-3)12-10-16)28(20)17-7-5-4-6-8-17/h4-12,24H,13-14,27H2,1-3H3.
What are the key properties of 4-amino-2-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-2H-quinoline-3-carbonitrile?
4-amino-2-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-2H-quinoline-3-carbonitrile has a molecular weight of 399.49 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-2H-quinoline-3-carbonitrile is sourced from PubChem (CID 139231490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).