6-methoxy-N-[(2-methoxyphenyl)methyl]thieno[2,3-b]quinoline-2-carboxamide

C21H18N2O3S — CID 22434613

IUPAC6-methoxy-N-[(2-methoxyphenyl)methyl]thieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2nc3sc(C(=O)NCc4ccccc4OC)cc3cc2c1
InChIInChI=1S/C21H18N2O3S/c1-25-16-7-8-17-14(10-16)9-15-11-19(27-21(15)23-17)20(24)22-12-13-5-3-4-6-18(13)26-2/h3-11H,12H2,1-2H3,(H,22,24)
InChIKeyWALDHXHNAAMPCY-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.40
Rot. Bonds5

About 6-methoxy-N-[(2-methoxyphenyl)methyl]thieno[2,3-b]quinoline-2-carboxamide

6-methoxy-N-[(2-methoxyphenyl)methyl]thieno[2,3-b]quinoline-2-carboxamide (PubChem CID 22434613) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is 6-methoxy-N-[(2-methoxyphenyl)methyl]thieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(2-methoxyphenyl)methyl]thieno[2,3-b]quinoline-2-carboxamide
PubChem CID22434613
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name6-methoxy-N-[(2-methoxyphenyl)methyl]thieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2nc3sc(C(=O)NCc4ccccc4OC)cc3cc2c1
InChIInChI=1S/C21H18N2O3S/c1-25-16-7-8-17-14(10-16)9-15-11-19(27-21(15)23-17)20(24)22-12-13-5-3-4-6-18(13)26-2/h3-11H,12H2,1-2H3,(H,22,24)
InChIKeyWALDHXHNAAMPCY-UHFFFAOYSA-N
XLogP4.40
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 15999971
6-methoxy-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]quinoline-2-carboxamide
CID 15995302
6-methoxy-N-[(2-methoxyphenyl)methyl]furo[2,3-b]quinoline-2-carboxamide
CID 15990836
N-[(2-methoxyphenyl)methyl]-1-oxoisothiochromene-3-carboxamide
CID 17015294
2-(diethylamino)-N-[(2-methoxyphenyl)methyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 55864501
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 92656948
N-[(2-methoxyphenyl)methyl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
CID 32736162
4-amino-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61091924
6-methoxy-N-phenyl-N-prop-2-enylthieno[2,3-b]quinoline-2-carboxamide
CID 6621724
7-methoxy-N-[(2-methoxyphenyl)methyl]furo[2,3-b]quinoline-2-carboxamide
CID 15990860
N-(3,5-dimethoxyphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide
CID 20966485
N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 26734258

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(2-methoxyphenyl)methyl]thieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 6-methoxy-N-[(2-methoxyphenyl)methyl]thieno[2,3-b]quinoline-2-carboxamide (CID 22434613) is 6-methoxy-N-[(2-methoxyphenyl)methyl]thieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(2-methoxyphenyl)methyl]thieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[(2-methoxyphenyl)methyl]thieno[2,3-b]quinoline-2-carboxamide is COc1ccc2nc3sc(C(=O)NCc4ccccc4OC)cc3cc2c1.
What is the InChIKey of 6-methoxy-N-[(2-methoxyphenyl)methyl]thieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is WALDHXHNAAMPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-25-16-7-8-17-14(10-16)9-15-11-19(27-21(15)23-17)20(24)22-12-13-5-3-4-6-18(13)26-2/h3-11H,12H2,1-2H3,(H,22,24).
What are the key properties of 6-methoxy-N-[(2-methoxyphenyl)methyl]thieno[2,3-b]quinoline-2-carboxamide?
6-methoxy-N-[(2-methoxyphenyl)methyl]thieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(2-methoxyphenyl)methyl]thieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 22434613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).