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

C22H20N2O4S — CID 20879945

IUPACN-(2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cc3c(=O)[nH]c4ccc(C)cc4c3s2)c(OC)c1
InChIInChI=1S/C22H20N2O4S/c1-12-5-7-16-14(9-12)20-15(21(25)23-16)11-19(29-20)22(26)24(2)17-8-6-13(27-3)10-18(17)28-4/h5-11H,1-4H3,(H,23,25)
InChIKeyHUWUGDUXDFQMQT-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.35
Rot. Bonds4

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

N-(2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 20879945) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
PubChem CID20879945
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC NameN-(2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cc3c(=O)[nH]c4ccc(C)cc4c3s2)c(OC)c1
InChIInChI=1S/C22H20N2O4S/c1-12-5-7-16-14(9-12)20-15(21(25)23-16)11-19(29-20)22(26)24(2)17-8-6-13(27-3)10-18(17)28-4/h5-11H,1-4H3,(H,23,25)
InChIKeyHUWUGDUXDFQMQT-UHFFFAOYSA-N
XLogP4.35
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide with MolForge

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 20879952
4-chloro-N-(2,4-dimethoxyphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide
CID 46256946
N,8-dimethyl-4-oxo-N-phenyl-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 6620018
N-(3-methoxypropyl)-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 20873099
N-methoxy-N-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 90704825
N-cyclohexyl-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 3562806
N-(2,5-dimethoxyphenyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 20855954
2-methoxy-7-methyl-10H-acridin-9-one
CID 24773760
8-methyl-4-oxo-N-(pyridin-3-ylmethyl)-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 20879934
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
2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-8-methyl-5H-thieno[3,2-c]quinolin-4-one
CID 20879965

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide (CID 20879945) is N-(2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide is COc1ccc(N(C)C(=O)c2cc3c(=O)[nH]c4ccc(C)cc4c3s2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is HUWUGDUXDFQMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-12-5-7-16-14(9-12)20-15(21(25)23-16)11-19(29-20)22(26)24(2)17-8-6-13(27-3)10-18(17)28-4/h5-11H,1-4H3,(H,23,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
N-(2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 20879945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).