3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide

C29H30N4O6 — CID 143856764

IUPAC3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCOCC(=O)N1CCC(NC(=O)c2[nH]c3c(c2OC)c(=O)n(CC(=O)c2ccccc2)c2ccccc32)CC1
InChIInChI=1S/C29H30N4O6/c1-38-17-23(35)32-14-12-19(13-15-32)30-28(36)26-27(39-2)24-25(31-26)20-10-6-7-11-21(20)33(29(24)37)16-22(34)18-8-4-3-5-9-18/h3-11,19,31H,12-17H2,1-2H3,(H,30,36)
InChIKeyOBFLOWLVZQSSNV-UHFFFAOYSA-N
MW530.58 g/mol
LogP2.74
Rot. Bonds8

About 3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide

3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 143856764) has the molecular formula C29H30N4O6 and a molecular weight of 530.58 g/mol. Its IUPAC name is 3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
PubChem CID143856764
Molecular FormulaC29H30N4O6
Molecular Weight530.58 g/mol
Exact Mass530.22
IUPAC Name3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCOCC(=O)N1CCC(NC(=O)c2[nH]c3c(c2OC)c(=O)n(CC(=O)c2ccccc2)c2ccccc32)CC1
InChIInChI=1S/C29H30N4O6/c1-38-17-23(35)32-14-12-19(13-15-32)30-28(36)26-27(39-2)24-25(31-26)20-10-6-7-11-21(20)33(29(24)37)16-22(34)18-8-4-3-5-9-18/h3-11,19,31H,12-17H2,1-2H3,(H,30,36)
InChIKeyOBFLOWLVZQSSNV-UHFFFAOYSA-N
XLogP2.74
TPSA122.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.58
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(2-hydroxyethyl)-2-methylpiperidin-4-yl]-3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 143856696
[3-[(3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carbonyl)amino]cyclohexyl]carbamic acid
CID 163986130
N-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 91159683
N-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 121267614
[2-(cyclohexylamino)-2-oxoethyl] acetate;3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 143856800
tert-butyl 4-[(3-methoxy-6-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]pyridine-2-carbonyl)amino]piperidine-1-carboxylate
CID 70973260
N-(4-aminocyclohexyl)-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 91194864
N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide
CID 66893184
N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide;hydrochloride
CID 66893183
N-[4-(3-hydroxy-2-oxopropyl)cyclohexyl]-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide
CID 58092879
N-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinolin-1-ium-2-carboxamide
CID 158002695
3-methoxy-N-methyl-4-oxo-5-phenacyl-N-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 91440551

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide (CID 143856764) is 3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide is COCC(=O)N1CCC(NC(=O)c2[nH]c3c(c2OC)c(=O)n(CC(=O)c2ccccc2)c2ccccc32)CC1.
What is the InChIKey of 3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide?
The InChIKey is OBFLOWLVZQSSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O6/c1-38-17-23(35)32-14-12-19(13-15-32)30-28(36)26-27(39-2)24-25(31-26)20-10-6-7-11-21(20)33(29(24)37)16-22(34)18-8-4-3-5-9-18/h3-11,19,31H,12-17H2,1-2H3,(H,30,36).
What are the key properties of 3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide?
3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 530.58 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 143856764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).