6,8-dimethyl-4-[(4-nitrophenyl)methylamino]quinoline-3-carbonitrile

C19H16N4O2 — CID 133319647

IUPAC6,8-dimethyl-4-[(4-nitrophenyl)methylamino]quinoline-3-carbonitrile
SMILESCc1cc(C)c2ncc(C#N)c(NCc3ccc([N+](=O)[O-])cc3)c2c1
InChIInChI=1S/C19H16N4O2/c1-12-7-13(2)18-17(8-12)19(15(9-20)11-22-18)21-10-14-3-5-16(6-4-14)23(24)25/h3-8,11H,10H2,1-2H3,(H,21,22)
InChIKeyDZOZHNVJLVDJFM-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.24
Rot. Bonds4

About 6,8-dimethyl-4-[(4-nitrophenyl)methylamino]quinoline-3-carbonitrile

6,8-dimethyl-4-[(4-nitrophenyl)methylamino]quinoline-3-carbonitrile (PubChem CID 133319647) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 6,8-dimethyl-4-[(4-nitrophenyl)methylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6,8-dimethyl-4-[(4-nitrophenyl)methylamino]quinoline-3-carbonitrile
PubChem CID133319647
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name6,8-dimethyl-4-[(4-nitrophenyl)methylamino]quinoline-3-carbonitrile
SMILESCc1cc(C)c2ncc(C#N)c(NCc3ccc([N+](=O)[O-])cc3)c2c1
InChIInChI=1S/C19H16N4O2/c1-12-7-13(2)18-17(8-12)19(15(9-20)11-22-18)21-10-14-3-5-16(6-4-14)23(24)25/h3-8,11H,10H2,1-2H3,(H,21,22)
InChIKeyDZOZHNVJLVDJFM-UHFFFAOYSA-N
XLogP4.24
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-8-methyl-4-[(4-nitrophenyl)methylamino]quinoline-3-carbonitrile
CID 133319660
3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]benzamide
CID 133310236
4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]-N-methylbenzenesulfonamide
CID 133310255
3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]-N-propylbenzamide
CID 133317629
6,8-dimethyl-4-(2-methylsulfonylethylamino)quinoline-3-carbonitrile
CID 71870914
N-[1-[(3-cyano-6,8-dimethylquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 133321550
6,8-dimethyl-4-(4-methylsulfanylbutylamino)quinoline-3-carbonitrile
CID 166216006
N-[2-[(3-cyano-6,8-dimethylquinolin-4-yl)amino]ethyl]benzenesulfonamide
CID 133316515
6,8-dimethyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]quinoline-3-carbonitrile
CID 133321621
4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-6,8-dimethylquinoline-3-carbonitrile
CID 133310755
2-chloro-N-[2-[(3-cyano-6,8-dimethylquinolin-4-yl)amino]ethyl]benzamide
CID 133316217
3-methyl-5-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine
CID 62475677

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-4-[(4-nitrophenyl)methylamino]quinoline-3-carbonitrile?
The IUPAC name of 6,8-dimethyl-4-[(4-nitrophenyl)methylamino]quinoline-3-carbonitrile (CID 133319647) is 6,8-dimethyl-4-[(4-nitrophenyl)methylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 6,8-dimethyl-4-[(4-nitrophenyl)methylamino]quinoline-3-carbonitrile?
The canonical SMILES for 6,8-dimethyl-4-[(4-nitrophenyl)methylamino]quinoline-3-carbonitrile is Cc1cc(C)c2ncc(C#N)c(NCc3ccc([N+](=O)[O-])cc3)c2c1.
What is the InChIKey of 6,8-dimethyl-4-[(4-nitrophenyl)methylamino]quinoline-3-carbonitrile?
The InChIKey is DZOZHNVJLVDJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-12-7-13(2)18-17(8-12)19(15(9-20)11-22-18)21-10-14-3-5-16(6-4-14)23(24)25/h3-8,11H,10H2,1-2H3,(H,21,22).
What are the key properties of 6,8-dimethyl-4-[(4-nitrophenyl)methylamino]quinoline-3-carbonitrile?
6,8-dimethyl-4-[(4-nitrophenyl)methylamino]quinoline-3-carbonitrile has a molecular weight of 332.36 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-4-[(4-nitrophenyl)methylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 133319647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).