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

C18H20N2O2S — CID 6622788

IUPAC8-methyl-N-(3-methylbutyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
SMILESCc1ccc2[nH]c(=O)c3cc(C(=O)NCCC(C)C)sc3c2c1
InChIInChI=1S/C18H20N2O2S/c1-10(2)6-7-19-18(22)15-9-13-16(23-15)12-8-11(3)4-5-14(12)20-17(13)21/h4-5,8-10H,6-7H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyPHSIKBQEDRECDS-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.83
Rot. Bonds4

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

8-methyl-N-(3-methylbutyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 6622788) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 8-methyl-N-(3-methylbutyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name8-methyl-N-(3-methylbutyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
PubChem CID6622788
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name8-methyl-N-(3-methylbutyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
SMILESCc1ccc2[nH]c(=O)c3cc(C(=O)NCCC(C)C)sc3c2c1
InChIInChI=1S/C18H20N2O2S/c1-10(2)6-7-19-18(22)15-9-13-16(23-15)12-8-11(3)4-5-14(12)20-17(13)21/h4-5,8-10H,6-7H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyPHSIKBQEDRECDS-UHFFFAOYSA-N
XLogP3.83
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)[1-(2-thienylcarbonyl)(4-piperidyl)]carboxamide
CID 1075575
N-[4-(4,10-Dihydro-1-thia-9-aza-benzo[f]azulene-9-carbonyl)-phenyl]-2-methyl-benzamide
CID 15308000
N-[4-[oxo(1-piperidinyl)methyl]phenyl]-2-thiophenecarboxamide
CID 761867
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 885311
1-(Thiophene-2-carbonyl)-piperidine-4-carboxylic acid (2-ethyl-phenyl)-amide
CID 1075536
8-methyl-4-oxo-N-(tetrahydrofuran-2-ylmethyl)-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 3570020
N-(3-Methylbutyl)-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 5147248
8-methyl-4-oxo-N,N-dipropyl-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 6620052
5-ethyl-N-isopropyl-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 16193902
N-(2-methoxyethyl)-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 20855952
5-Ethyl-N-(3-methylbutyl)-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 20865361
5-Methyl-N-[3-(4-methylpiperazin-1-YL)propyl]-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 5307923

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(3-methylbutyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 8-methyl-N-(3-methylbutyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide (CID 6622788) is 8-methyl-N-(3-methylbutyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 8-methyl-N-(3-methylbutyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 8-methyl-N-(3-methylbutyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide is Cc1ccc2[nH]c(=O)c3cc(C(=O)NCCC(C)C)sc3c2c1.
What is the InChIKey of 8-methyl-N-(3-methylbutyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is PHSIKBQEDRECDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-10(2)6-7-19-18(22)15-9-13-16(23-15)12-8-11(3)4-5-14(12)20-17(13)21/h4-5,8-10H,6-7H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 8-methyl-N-(3-methylbutyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
8-methyl-N-(3-methylbutyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(3-methylbutyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 6622788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).