[1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 7-methoxy-2-methylquinoline-3-carboxylate

C23H24N2O6 — CID 55472197

IUPAC[1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 7-methoxy-2-methylquinoline-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)C(C)OC(=O)c2cc3ccc(OC)cc3nc2C)c1C
InChIInChI=1S/C23H24N2O6/c1-11-19(23(28)30-6)13(3)25-20(11)21(26)14(4)31-22(27)17-9-15-7-8-16(29-5)10-18(15)24-12(17)2/h7-10,14,25H,1-6H3
InChIKeyFHPKGVLMHATIFN-UHFFFAOYSA-N
MW424.45 g/mol
LogP3.71
Rot. Bonds6

About [1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 7-methoxy-2-methylquinoline-3-carboxylate

[1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 7-methoxy-2-methylquinoline-3-carboxylate (PubChem CID 55472197) has the molecular formula C23H24N2O6 and a molecular weight of 424.45 g/mol. Its IUPAC name is [1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 7-methoxy-2-methylquinoline-3-carboxylate.

Molecular Properties

Compound Name[1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 7-methoxy-2-methylquinoline-3-carboxylate
PubChem CID55472197
Molecular FormulaC23H24N2O6
Molecular Weight424.45 g/mol
Exact Mass424.16
IUPAC Name[1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 7-methoxy-2-methylquinoline-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)C(C)OC(=O)c2cc3ccc(OC)cc3nc2C)c1C
InChIInChI=1S/C23H24N2O6/c1-11-19(23(28)30-6)13(3)25-20(11)21(26)14(4)31-22(27)17-9-15-7-8-16(29-5)10-18(15)24-12(17)2/h7-10,14,25H,1-6H3
InChIKeyFHPKGVLMHATIFN-UHFFFAOYSA-N
XLogP3.71
TPSA107.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 7-methoxy-2-methylquinoline-3-carboxylate with MolForge

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Related Compounds

methyl 5-[(2S)-2-(4-methoxybenzoyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7862020
methyl 5-[(2S)-2-(3-methoxynaphthalene-2-carbonyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7376933
(1-oxo-1-phenylpropan-2-yl) 7-methoxy-2-methylquinoline-3-carboxylate
CID 42894703
methyl 5-[(2S)-2-(3,5-dimethoxybenzoyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 8528651
methyl 5-[(2S)-2-(3-methoxybenzoyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7986108
methyl 5-[(2R)-2-(3-methoxybenzoyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7986107
[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 6-chloro-2-methylquinoline-3-carboxylate
CID 46676501
4-O-[1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 16506521
methyl 5-[(2R)-2-(5-chloro-2-methoxybenzoyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7291464
methyl 5-[(2S)-2-(2-fluorobenzoyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7864246
methyl 5-[(2S)-2-(2-chloro-4-fluorobenzoyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7413357
methyl 2,4-dimethyl-5-[(2R)-2-(2-phenoxybenzoyl)oxypropanoyl]-1H-pyrrole-3-carboxylate
CID 7760836

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 7-methoxy-2-methylquinoline-3-carboxylate?
The IUPAC name of [1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 7-methoxy-2-methylquinoline-3-carboxylate (CID 55472197) is [1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 7-methoxy-2-methylquinoline-3-carboxylate.
What is the SMILES notation for [1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 7-methoxy-2-methylquinoline-3-carboxylate?
The canonical SMILES for [1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 7-methoxy-2-methylquinoline-3-carboxylate is COC(=O)c1c(C)[nH]c(C(=O)C(C)OC(=O)c2cc3ccc(OC)cc3nc2C)c1C.
What is the InChIKey of [1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 7-methoxy-2-methylquinoline-3-carboxylate?
The InChIKey is FHPKGVLMHATIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6/c1-11-19(23(28)30-6)13(3)25-20(11)21(26)14(4)31-22(27)17-9-15-7-8-16(29-5)10-18(15)24-12(17)2/h7-10,14,25H,1-6H3.
What are the key properties of [1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 7-methoxy-2-methylquinoline-3-carboxylate?
[1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 7-methoxy-2-methylquinoline-3-carboxylate has a molecular weight of 424.45 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 7-methoxy-2-methylquinoline-3-carboxylate is sourced from PubChem (CID 55472197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).