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

C30H32N4O6 — CID 121267614

IUPACN-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCOc1c(C(=O)N(C)CC2CCN(C(=O)CO)CC2)[nH]c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21
InChIInChI=1S/C30H32N4O6/c1-32(16-19-12-14-33(15-13-19)24(37)18-35)30(39)27-28(40-2)25-26(31-27)21-10-6-7-11-22(21)34(29(25)38)17-23(36)20-8-4-3-5-9-20/h3-11,19,31,35H,12-18H2,1-2H3
InChIKeyDGECVLLXATTWML-UHFFFAOYSA-N
MW544.61 g/mol
LogP2.68
Rot. Bonds8

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

N-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 121267614) has the molecular formula C30H32N4O6 and a molecular weight of 544.61 g/mol. Its IUPAC name is N-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
PubChem CID121267614
Molecular FormulaC30H32N4O6
Molecular Weight544.61 g/mol
Exact Mass544.23
IUPAC NameN-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCOc1c(C(=O)N(C)CC2CCN(C(=O)CO)CC2)[nH]c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21
InChIInChI=1S/C30H32N4O6/c1-32(16-19-12-14-33(15-13-19)24(37)18-35)30(39)27-28(40-2)25-26(31-27)21-10-6-7-11-22(21)34(29(25)38)17-23(36)20-8-4-3-5-9-20/h3-11,19,31,35H,12-18H2,1-2H3
InChIKeyDGECVLLXATTWML-UHFFFAOYSA-N
XLogP2.68
TPSA124.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.61
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 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) is N-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide is COc1c(C(=O)N(C)CC2CCN(C(=O)CO)CC2)[nH]c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21.
What is the InChIKey of N-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide?
The InChIKey is DGECVLLXATTWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O6/c1-32(16-19-12-14-33(15-13-19)24(37)18-35)30(39)27-28(40-2)25-26(31-27)21-10-6-7-11-22(21)34(29(25)38)17-23(36)20-8-4-3-5-9-20/h3-11,19,31,35H,12-18H2,1-2H3.
What are the key properties of N-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide?
N-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 544.61 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 121267614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).