methoxyethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide;2-phenylquinoline-4-carboxylic acid;hydrochloride

C37H36ClN3O5 — CID 158247376

IUPACmethoxyethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide;2-phenylquinoline-4-carboxylic acid;hydrochloride
SMILESCCOC.CON(C)C(=O)c1cc(-c2ccccc2)nc2ccccc12.Cl.O=C(O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C18H16N2O2.C16H11NO2.C3H8O.ClH/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;18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;1-3-4-2;/h3-12H,1-2H3;1-10H,(H,18,19);3H2,1-2H3;1H
InChIKeyFPLTWROKISGNBU-UHFFFAOYSA-N
MW638.16 g/mol
LogP8.21
Rot. Bonds6

About methoxyethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide;2-phenylquinoline-4-carboxylic acid;hydrochloride

methoxyethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide;2-phenylquinoline-4-carboxylic acid;hydrochloride (PubChem CID 158247376) has the molecular formula C37H36ClN3O5 and a molecular weight of 638.16 g/mol. Its IUPAC name is methoxyethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide;2-phenylquinoline-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Namemethoxyethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide;2-phenylquinoline-4-carboxylic acid;hydrochloride
PubChem CID158247376
Molecular FormulaC37H36ClN3O5
Molecular Weight638.16 g/mol
Exact Mass637.23
IUPAC Namemethoxyethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide;2-phenylquinoline-4-carboxylic acid;hydrochloride
SMILESCCOC.CON(C)C(=O)c1cc(-c2ccccc2)nc2ccccc12.Cl.O=C(O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C18H16N2O2.C16H11NO2.C3H8O.ClH/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;18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;1-3-4-2;/h3-12H,1-2H3;1-10H,(H,18,19);3H2,1-2H3;1H
InChIKeyFPLTWROKISGNBU-UHFFFAOYSA-N
XLogP8.21
TPSA101.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.16
LogP ≤ 58.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methoxyethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide;2-phenylquinoline-4-carboxylic acid;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

ethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide
CID 144714320
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
N-methoxy-N-methyl-2-phosphanylquinoline-4-carboxamide
CID 135294171
N-butyl-N-methyl-2-phenylquinoline-4-carboxamide
CID 27702629
2-phenylquinoline-4-carboxylic acid;prop-1-ene
CID 143187114
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
methyl (2S)-2-[methyl-(2-phenylquinoline-4-carbonyl)amino]-2-phenylpropanoate
CID 174344465
2-(4-carboxyphenyl)quinoline-4-carboxylic acid
CID 57126411
N-ethyl-N-(2-hydroxyethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 78796165
ethanol;bis(europium(3+));hexakis(2-phenylquinoline-4-carboxylate)
CID 139141812
2-(4-butan-2-ylphenyl)quinoline-4-carboxylic acid
CID 3796863

Frequently Asked Questions

What is the IUPAC name of methoxyethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide;2-phenylquinoline-4-carboxylic acid;hydrochloride?
The IUPAC name of methoxyethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide;2-phenylquinoline-4-carboxylic acid;hydrochloride (CID 158247376) is methoxyethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide;2-phenylquinoline-4-carboxylic acid;hydrochloride.
What is the SMILES notation for methoxyethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide;2-phenylquinoline-4-carboxylic acid;hydrochloride?
The canonical SMILES for methoxyethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide;2-phenylquinoline-4-carboxylic acid;hydrochloride is CCOC.CON(C)C(=O)c1cc(-c2ccccc2)nc2ccccc12.Cl.O=C(O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of methoxyethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide;2-phenylquinoline-4-carboxylic acid;hydrochloride?
The InChIKey is FPLTWROKISGNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2.C16H11NO2.C3H8O.ClH/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;18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;1-3-4-2;/h3-12H,1-2H3;1-10H,(H,18,19);3H2,1-2H3;1H.
What are the key properties of methoxyethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide;2-phenylquinoline-4-carboxylic acid;hydrochloride?
methoxyethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide;2-phenylquinoline-4-carboxylic acid;hydrochloride has a molecular weight of 638.16 g/mol, XLogP of 8.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide;2-phenylquinoline-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 158247376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).