7-methoxy-N-methyl-8-(2-methylpropyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide

C27H32N4O4S — CID 87056845

IUPAC7-methoxy-N-methyl-8-(2-methylpropyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide
SMILESCOc1cc2c(cc1CC(C)C)-n1c(-c3cccs3)nc(C(=O)N(C)CCN3CCOC3=O)c1CC2
InChIInChI=1S/C27H32N4O4S/c1-17(2)14-19-15-21-18(16-22(19)34-4)7-8-20-24(28-25(31(20)21)23-6-5-13-36-23)26(32)29(3)9-10-30-11-12-35-27(30)33/h5-6,13,15-17H,7-12,14H2,1-4H3
InChIKeyGPQYEQXWFCQOHZ-UHFFFAOYSA-N
MW508.64 g/mol
LogP4.43
Rot. Bonds8

About 7-methoxy-N-methyl-8-(2-methylpropyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide

7-methoxy-N-methyl-8-(2-methylpropyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide (PubChem CID 87056845) has the molecular formula C27H32N4O4S and a molecular weight of 508.64 g/mol. Its IUPAC name is 7-methoxy-N-methyl-8-(2-methylpropyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-methyl-8-(2-methylpropyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide
PubChem CID87056845
Molecular FormulaC27H32N4O4S
Molecular Weight508.64 g/mol
Exact Mass508.21
IUPAC Name7-methoxy-N-methyl-8-(2-methylpropyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide
SMILESCOc1cc2c(cc1CC(C)C)-n1c(-c3cccs3)nc(C(=O)N(C)CCN3CCOC3=O)c1CC2
InChIInChI=1S/C27H32N4O4S/c1-17(2)14-19-15-21-18(16-22(19)34-4)7-8-20-24(28-25(31(20)21)23-6-5-13-36-23)26(32)29(3)9-10-30-11-12-35-27(30)33/h5-6,13,15-17H,7-12,14H2,1-4H3
InChIKeyGPQYEQXWFCQOHZ-UHFFFAOYSA-N
XLogP4.43
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.64
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-methyl-8-(2-methylpropyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide?
The IUPAC name of 7-methoxy-N-methyl-8-(2-methylpropyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide (CID 87056845) is 7-methoxy-N-methyl-8-(2-methylpropyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-methyl-8-(2-methylpropyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-N-methyl-8-(2-methylpropyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide is COc1cc2c(cc1CC(C)C)-n1c(-c3cccs3)nc(C(=O)N(C)CCN3CCOC3=O)c1CC2.
What is the InChIKey of 7-methoxy-N-methyl-8-(2-methylpropyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide?
The InChIKey is GPQYEQXWFCQOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4S/c1-17(2)14-19-15-21-18(16-22(19)34-4)7-8-20-24(28-25(31(20)21)23-6-5-13-36-23)26(32)29(3)9-10-30-11-12-35-27(30)33/h5-6,13,15-17H,7-12,14H2,1-4H3.
What are the key properties of 7-methoxy-N-methyl-8-(2-methylpropyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide?
7-methoxy-N-methyl-8-(2-methylpropyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide has a molecular weight of 508.64 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-methyl-8-(2-methylpropyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide is sourced from PubChem (CID 87056845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).