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

C19H21N3O2 — CID 10805859

IUPAC2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(N)NC3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C19H21N3O2/c1-19(2)8-14-17(15(23)9-19)16(13(10-20)18(21)22-14)11-4-6-12(24-3)7-5-11/h4-7,16,22H,8-9,21H2,1-3H3
InChIKeyZIOYVCXRYSCZTI-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.72
Rot. Bonds2

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

2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 10805859) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
PubChem CID10805859
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(N)NC3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C19H21N3O2/c1-19(2)8-14-17(15(23)9-19)16(13(10-20)18(21)22-14)11-4-6-12(24-3)7-5-11/h4-7,16,22H,8-9,21H2,1-3H3
InChIKeyZIOYVCXRYSCZTI-UHFFFAOYSA-N
XLogP2.72
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 2839615
4-(3-Methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 2818321
9-(4-methoxyphenyl)-3,3,6,6,10-pentamethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
CID 1401068
4-(4-Hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CID 2818308
3-(Isopentylamino)-5-(4-methoxyphenyl)-2-cyclohexen-1-one
CID 2885930
4-(4-Methoxyphenyl)-7,7-dimethyl-2-(methylthio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CID 661713
2-Amino-1-(dimethylamino)-4-(4-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CID 4343532
Ethanone, 1,1'-(1,4-dihydro-4-(4-methoxyphenyl)-2,6-dimethyl-3,5-pyridinediyl)bis-
CID 288686
2-Amino-5,6,7,8-tetrahydro-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-4H-1-benzopyran-3-carbonitrile
CID 2828657
5-Acetyl-2-amino-4-(4-methoxyphenyl)-6-methyl-4H-pyran-3-carbonitrile
CID 2769622
2-Amino-1-(dimethylamino)-4-(3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CID 3432952
Ethyl {[3-cyano-5-hydroxy-4-(4-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate
CID 661554

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile (CID 10805859) is 2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile is COc1ccc(C2C(C#N)=C(N)NC3=C2C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of 2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is ZIOYVCXRYSCZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-19(2)8-14-17(15(23)9-19)16(13(10-20)18(21)22-14)11-4-6-12(24-3)7-5-11/h4-7,16,22H,8-9,21H2,1-3H3.
What are the key properties of 2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile?
2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 323.40 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 10805859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).