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

C22H19ClN2O4S — CID 20879952

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
SMILESCOc1cc(OC)c(N(C)C(=O)c2cc3c(=O)[nH]c4ccc(C)cc4c3s2)cc1Cl
InChIInChI=1S/C22H19ClN2O4S/c1-11-5-6-15-12(7-11)20-13(21(26)24-15)8-19(30-20)22(27)25(2)16-9-14(23)17(28-3)10-18(16)29-4/h5-10H,1-4H3,(H,24,26)
InChIKeyBLRGVOSICYRHTJ-UHFFFAOYSA-N
MW442.92 g/mol
LogP5.00
Rot. Bonds4

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

N-(5-chloro-2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 20879952) has the molecular formula C22H19ClN2O4S and a molecular weight of 442.92 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
PubChem CID20879952
Molecular FormulaC22H19ClN2O4S
Molecular Weight442.92 g/mol
Exact Mass442.08
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
SMILESCOc1cc(OC)c(N(C)C(=O)c2cc3c(=O)[nH]c4ccc(C)cc4c3s2)cc1Cl
InChIInChI=1S/C22H19ClN2O4S/c1-11-5-6-15-12(7-11)20-13(21(26)24-15)8-19(30-20)22(27)25(2)16-9-14(23)17(28-3)10-18(16)29-4/h5-10H,1-4H3,(H,24,26)
InChIKeyBLRGVOSICYRHTJ-UHFFFAOYSA-N
XLogP5.00
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.92
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide (CID 20879952) is N-(5-chloro-2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide is COc1cc(OC)c(N(C)C(=O)c2cc3c(=O)[nH]c4ccc(C)cc4c3s2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is BLRGVOSICYRHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O4S/c1-11-5-6-15-12(7-11)20-13(21(26)24-15)8-19(30-20)22(27)25(2)16-9-14(23)17(28-3)10-18(16)29-4/h5-10H,1-4H3,(H,24,26).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 442.92 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 20879952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).