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

C17H17N3O4 — CID 167934437

Data last refreshed: (MolForge compound catalog, from PubChem)

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

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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).

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