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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Related Compounds

N-cyclohexyl-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 3562806
8-methyl-4-oxo-N-(pyridin-3-ylmethyl)-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 20879934
N-butyl-N-ethyl-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 20873084
N-(3-methoxypropyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide
CID 22434505
N,8-dimethyl-4-oxo-N-phenyl-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 6620018
N-(3-methoxypropyl)-5-methyl-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide
CID 46391803
N-(2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 20879945
N-(5-chloro-2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 20879952
N-(3-methoxypropyl)-3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 24502555
8-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-thieno[3,2-c]quinolin-4-one
CID 15987691
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methyl-5H-thieno[3,2-c]quinolin-4-one
CID 126458329
N-methoxy-N-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 90704825

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).