N-(3-methoxypropyl)-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide

C17H18N2O3S — CID 20873099

IUPACN-(3-methoxypropyl)-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
SMILESCOCCCNC(=O)c1cc2c(=O)[nH]c3ccc(C)cc3c2s1
InChIInChI=1S/C17H18N2O3S/c1-10-4-5-13-11(8-10)15-12(16(20)19-13)9-14(23-15)17(21)18-6-3-7-22-2/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyMVRVMNSBBRJBSZ-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.82
Rot. Bonds5

About N-(3-methoxypropyl)-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide

N-(3-methoxypropyl)-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 20873099) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(3-methoxypropyl)-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
PubChem CID20873099
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(3-methoxypropyl)-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
SMILESCOCCCNC(=O)c1cc2c(=O)[nH]c3ccc(C)cc3c2s1
InChIInChI=1S/C17H18N2O3S/c1-10-4-5-13-11(8-10)15-12(16(20)19-13)9-14(23-15)17(21)18-6-3-7-22-2/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyMVRVMNSBBRJBSZ-UHFFFAOYSA-N
XLogP2.82
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide (CID 20873099) is N-(3-methoxypropyl)-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide is COCCCNC(=O)c1cc2c(=O)[nH]c3ccc(C)cc3c2s1.
What is the InChIKey of N-(3-methoxypropyl)-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is MVRVMNSBBRJBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-10-4-5-13-11(8-10)15-12(16(20)19-13)9-14(23-15)17(21)18-6-3-7-22-2/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-(3-methoxypropyl)-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
N-(3-methoxypropyl)-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 20873099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).