4-[4-(dimethylamino)phenyl]-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione

C19H24N2O2 — CID 628462

IUPAC4-[4-(dimethylamino)phenyl]-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
SMILESCN(C)c1ccc(C2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C19H24N2O2/c1-19(2)10-15-18(16(22)11-19)14(9-17(23)20-15)12-5-7-13(8-6-12)21(3)4/h5-8,14H,9-11H2,1-4H3,(H,20,23)
InChIKeyZAGXTJWYWMLZBV-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.00
Rot. Bonds2

About 4-[4-(dimethylamino)phenyl]-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione

4-[4-(dimethylamino)phenyl]-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione (PubChem CID 628462) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
PubChem CID628462
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name4-[4-(dimethylamino)phenyl]-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
SMILESCN(C)c1ccc(C2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C19H24N2O2/c1-19(2)10-15-18(16(22)11-19)14(9-17(23)20-15)12-5-7-13(8-6-12)21(3)4/h5-8,14H,9-11H2,1-4H3,(H,20,23)
InChIKeyZAGXTJWYWMLZBV-UHFFFAOYSA-N
XLogP3.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-[4-(dimethylamino)phenyl]-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione with MolForge

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Related Compounds

3-[(2-Aminophenyl)amino]-5-[4-(dimethylamino)phenyl]cyclohex-2-en-1-one
CID 590400
1-(2,4-difluorophenyl)-4-phenyl-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 4043316
(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienamide
CID 59311339
N-(4-(3-Ethyl-2,6-dioxo-3-piperidinyl)phenyl)acetamide
CID 38050
11-[4-(dimethylamino)phenyl]-10-isobutyryl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
CID 3244689
3-[(4-Methylphenyl)amino]-5-phenylcyclohex-2-en-1-one
CID 4624884
1-(4-fluorophenyl)-4-(4-methylphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 5153399
3-(3-Methylamino-propyl)-3-propyl-1-p-tolyl-3,4-dihydro-1H-quinolin-2-one
CID 44404223
3-Isopropyl-3-(3-methylamino-propyl)-1-p-tolyl-3,4-dihydro-1H-quinolin-2-one
CID 44404224
3-Methyl-3-(3-methylamino-propyl)-1-p-tolyl-3,4-dihydro-1H-quinolin-2-one
CID 44404265
3-Ethyl-3-(3-methylamino-propyl)-1-p-tolyl-3,4-dihydro-1H-quinolin-2-one
CID 44404286
5,5-Dimethyl-3-(4-propan-2-ylanilino)cyclohex-2-en-1-one
CID 975395

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione (CID 628462) is 4-[4-(dimethylamino)phenyl]-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione is CN(C)c1ccc(C2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
The InChIKey is ZAGXTJWYWMLZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-19(2)10-15-18(16(22)11-19)14(9-17(23)20-15)12-5-7-13(8-6-12)21(3)4/h5-8,14H,9-11H2,1-4H3,(H,20,23).
What are the key properties of 4-[4-(dimethylamino)phenyl]-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
4-[4-(dimethylamino)phenyl]-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione has a molecular weight of 312.41 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione is sourced from PubChem (CID 628462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).