methyl 5-methyl-3-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-1H-pyrrole-2-carboxylate

C17H17N3O4 — CID 167934437

IUPACmethyl 5-methyl-3-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c(C)cc1NC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H17N3O4/c1-9-7-13(15(18-9)17(23)24-2)20-16(22)11-3-5-12-10(8-11)4-6-14(21)19-12/h3,5,7-8,18H,4,6H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDXXSAMXFXSNYHZ-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.25
Rot. Bonds3

About methyl 5-methyl-3-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-1H-pyrrole-2-carboxylate

methyl 5-methyl-3-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-1H-pyrrole-2-carboxylate (PubChem CID 167934437) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is methyl 5-methyl-3-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-3-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-1H-pyrrole-2-carboxylate
PubChem CID167934437
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Namemethyl 5-methyl-3-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c(C)cc1NC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H17N3O4/c1-9-7-13(15(18-9)17(23)24-2)20-16(22)11-3-5-12-10(8-11)4-6-14(21)19-12/h3,5,7-8,18H,4,6H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDXXSAMXFXSNYHZ-UHFFFAOYSA-N
XLogP2.25
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze methyl 5-methyl-3-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-1H-pyrrole-2-carboxylate with MolForge

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Related Compounds

methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
N-(2-tert-butylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110858427
methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzoate
CID 108784479
N-(4-chloro-2,5-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 24531669
dimethyl 5-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzene-1,3-dicarboxylate
CID 108784566
methyl 3-[[4-[(1S)-1-aminoethyl]benzoyl]amino]-5-methyl-1H-pyrrole-2-carboxylate
CID 167931555
N-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103728105
N-(2-carbamoylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110761862
N-(2-ethyl-6-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110858019
3,4-dimethoxy-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571300
N-(3-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 17421453
N-[4-(dimethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 34547299

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-3-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 5-methyl-3-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-1H-pyrrole-2-carboxylate (CID 167934437) is methyl 5-methyl-3-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-methyl-3-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 5-methyl-3-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-1H-pyrrole-2-carboxylate is COC(=O)c1[nH]c(C)cc1NC(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of methyl 5-methyl-3-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-1H-pyrrole-2-carboxylate?
The InChIKey is DXXSAMXFXSNYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-9-7-13(15(18-9)17(23)24-2)20-16(22)11-3-5-12-10(8-11)4-6-14(21)19-12/h3,5,7-8,18H,4,6H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of methyl 5-methyl-3-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-1H-pyrrole-2-carboxylate?
methyl 5-methyl-3-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-1H-pyrrole-2-carboxylate has a molecular weight of 327.34 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-3-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 167934437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).