N-(2,5-dimethoxyphenyl)-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide

C23H22N2O4S — CID 131841617

IUPACN-(2,5-dimethoxyphenyl)-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCCN(C(=O)c1cc2cc3ccc(OC)cc3nc2s1)c1cc(OC)ccc1OC
InChIInChI=1S/C23H22N2O4S/c1-5-25(19-13-17(28-3)8-9-20(19)29-4)23(26)21-11-15-10-14-6-7-16(27-2)12-18(14)24-22(15)30-21/h6-13H,5H2,1-4H3
InChIKeyRVDNCWLVKMYFKF-UHFFFAOYSA-N
MW422.51 g/mol
LogP5.14
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide

N-(2,5-dimethoxyphenyl)-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide (PubChem CID 131841617) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide
PubChem CID131841617
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC NameN-(2,5-dimethoxyphenyl)-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCCN(C(=O)c1cc2cc3ccc(OC)cc3nc2s1)c1cc(OC)ccc1OC
InChIInChI=1S/C23H22N2O4S/c1-5-25(19-13-17(28-3)8-9-20(19)29-4)23(26)21-11-15-10-14-6-7-16(27-2)12-18(14)24-22(15)30-21/h6-13H,5H2,1-4H3
InChIKeyRVDNCWLVKMYFKF-UHFFFAOYSA-N
XLogP5.14
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.51
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 15997237
N-(5-chloro-2-methoxyphenyl)-N,7-dimethylthieno[2,3-b]quinoline-2-carboxamide
CID 15998138
N-(2,5-dimethoxyphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide
CID 15990436
6-methoxy-N-phenyl-N-prop-2-enylthieno[2,3-b]quinoline-2-carboxamide
CID 6621724
N-(2,5-dimethoxyphenyl)-N,5-diethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20865358
7-methoxy-N-(2,4,6-trimethylphenyl)thieno[2,3-b]quinoline-2-carboxamide
CID 2093613
ethyl 4-[(7-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate
CID 46249798
N-[(5-bromo-2-methoxyphenyl)methyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 15999971
6-methoxy-N-[(2-methoxyphenyl)methyl]thieno[2,3-b]quinoline-2-carboxamide
CID 22434613
ethyl 7-methylthieno[2,3-b]quinoline-2-carboxylate
CID 778240
N-(2,5-dimethoxyphenyl)-N-ethyl-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 3244223
7-methylthieno[2,3-b]quinoline-2-carboxylate
CID 4126375

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide (CID 131841617) is N-(2,5-dimethoxyphenyl)-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide is CCN(C(=O)c1cc2cc3ccc(OC)cc3nc2s1)c1cc(OC)ccc1OC.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is RVDNCWLVKMYFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-5-25(19-13-17(28-3)8-9-20(19)29-4)23(26)21-11-15-10-14-6-7-16(27-2)12-18(14)24-22(15)30-21/h6-13H,5H2,1-4H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
N-(2,5-dimethoxyphenyl)-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 422.51 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 131841617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).