methyl 2-oxo-1-(2-phenylethylamino)quinoline-6-carboxylate

C19H18N2O3 — CID 141344548

IUPACmethyl 2-oxo-1-(2-phenylethylamino)quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2c(ccc(=O)n2NCCc2ccccc2)c1
InChIInChI=1S/C19H18N2O3/c1-24-19(23)16-7-9-17-15(13-16)8-10-18(22)21(17)20-12-11-14-5-3-2-4-6-14/h2-10,13,20H,11-12H2,1H3
InChIKeyOJAPBKVVUSPYPH-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.57
Rot. Bonds5

About methyl 2-oxo-1-(2-phenylethylamino)quinoline-6-carboxylate

methyl 2-oxo-1-(2-phenylethylamino)quinoline-6-carboxylate (PubChem CID 141344548) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl 2-oxo-1-(2-phenylethylamino)quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-1-(2-phenylethylamino)quinoline-6-carboxylate
PubChem CID141344548
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Namemethyl 2-oxo-1-(2-phenylethylamino)quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2c(ccc(=O)n2NCCc2ccccc2)c1
InChIInChI=1S/C19H18N2O3/c1-24-19(23)16-7-9-17-15(13-16)8-10-18(22)21(17)20-12-11-14-5-3-2-4-6-14/h2-10,13,20H,11-12H2,1H3
InChIKeyOJAPBKVVUSPYPH-UHFFFAOYSA-N
XLogP2.57
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-oxo-1-(2-phenylethylamino)quinoline-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(3-phenylpropanoyl)indole-5-carboxylate
CID 101462418
methyl 3-[(1-benzyl-2-oxoquinoline-6-carbonyl)amino]benzoate
CID 50840884
methyl 1-benzyl-2-(2-hydroxyethyl)indole-6-carboxylate
CID 90133591
methyl 4-(2-phenylethylamino)benzoate
CID 43217242
methyl 4-amino-3-(2-phenylethylamino)benzoate
CID 82786010
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl 3-[2-(methylamino)ethyl]benzoate
CID 59419935
methyl 4-chloro-3-[[2-(2-phenylethylamino)acetyl]amino]benzoate
CID 108999940
methyl 2-(3-phenylpropyl)indazole-6-carboxylate
CID 24953212
methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate
CID 1070610
methyl 4-(3-phenylpropanoyl)benzoate
CID 11184731
methyl 1-[(3-methylphenyl)methyl]indole-5-carboxylate
CID 156703114

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-1-(2-phenylethylamino)quinoline-6-carboxylate?
The IUPAC name of methyl 2-oxo-1-(2-phenylethylamino)quinoline-6-carboxylate (CID 141344548) is methyl 2-oxo-1-(2-phenylethylamino)quinoline-6-carboxylate.
What is the SMILES notation for methyl 2-oxo-1-(2-phenylethylamino)quinoline-6-carboxylate?
The canonical SMILES for methyl 2-oxo-1-(2-phenylethylamino)quinoline-6-carboxylate is COC(=O)c1ccc2c(ccc(=O)n2NCCc2ccccc2)c1.
What is the InChIKey of methyl 2-oxo-1-(2-phenylethylamino)quinoline-6-carboxylate?
The InChIKey is OJAPBKVVUSPYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-24-19(23)16-7-9-17-15(13-16)8-10-18(22)21(17)20-12-11-14-5-3-2-4-6-14/h2-10,13,20H,11-12H2,1H3.
What are the key properties of methyl 2-oxo-1-(2-phenylethylamino)quinoline-6-carboxylate?
methyl 2-oxo-1-(2-phenylethylamino)quinoline-6-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-1-(2-phenylethylamino)quinoline-6-carboxylate is sourced from PubChem (CID 141344548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).