ethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide

C20H22N2O2 — CID 144714320

IUPACethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide
SMILESCC.CON(C)C(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C18H16N2O2.C2H6/c1-20(22-2)18(21)15-12-17(13-8-4-3-5-9-13)19-16-11-7-6-10-14(15)16;1-2/h3-12H,1-2H3;1-2H3
InChIKeyDUMXZFWUZSTSEB-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.56
Rot. Bonds3

About ethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide

ethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide (PubChem CID 144714320) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is ethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Nameethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide
PubChem CID144714320
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Nameethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide
SMILESCC.CON(C)C(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C18H16N2O2.C2H6/c1-20(22-2)18(21)15-12-17(13-8-4-3-5-9-13)19-16-11-7-6-10-14(15)16;1-2/h3-12H,1-2H3;1-2H3
InChIKeyDUMXZFWUZSTSEB-UHFFFAOYSA-N
XLogP4.56
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methoxyethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide;2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 158247376
N-methoxy-N-methyl-2-phosphanylquinoline-4-carboxamide
CID 135294171
methyl (2S)-2-[methyl-(2-phenylquinoline-4-carbonyl)amino]-2-phenylpropanoate
CID 174344465
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
N-butyl-N-methyl-2-phenylquinoline-4-carboxamide
CID 27702629
1-N,4-N-dimethoxy-1-N,4-N-dimethylnaphthalene-1,4-dicarboxamide
CID 71406304
2-phenylquinoline-4-carboxylic acid;prop-1-ene
CID 143187114
sodium (2-phenylquinoline-4-carbonyl)azanide
CID 140991412
sodium 2-phenylquinoline-4-carboxylate
CID 23691042
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
N,N-dicyclohexyl-2-phenylquinoline-4-carboxamide
CID 3554949

Frequently Asked Questions

What is the IUPAC name of ethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide?
The IUPAC name of ethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide (CID 144714320) is ethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for ethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide?
The canonical SMILES for ethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide is CC.CON(C)C(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of ethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide?
The InChIKey is DUMXZFWUZSTSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2.C2H6/c1-20(22-2)18(21)15-12-17(13-8-4-3-5-9-13)19-16-11-7-6-10-14(15)16;1-2/h3-12H,1-2H3;1-2H3.
What are the key properties of ethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide?
ethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 144714320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).