3-amino-N-(2-chlorophenyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide

C20H16ClN3O3S — CID 43812112

IUPAC3-amino-N-(2-chlorophenyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1cc2cc3c(N)c(C(=O)Nc4ccccc4Cl)sc3nc2cc1OC
InChIInChI=1S/C20H16ClN3O3S/c1-26-15-8-10-7-11-17(22)18(19(25)23-13-6-4-3-5-12(13)21)28-20(11)24-14(10)9-16(15)27-2/h3-9H,22H2,1-2H3,(H,23,25)
InChIKeyZPFNFYLYMUKPEA-UHFFFAOYSA-N
MW413.89 g/mol
LogP4.95
Rot. Bonds4

About 3-amino-N-(2-chlorophenyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide

3-amino-N-(2-chlorophenyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide (PubChem CID 43812112) has the molecular formula C20H16ClN3O3S and a molecular weight of 413.89 g/mol. Its IUPAC name is 3-amino-N-(2-chlorophenyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-chlorophenyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide
PubChem CID43812112
Molecular FormulaC20H16ClN3O3S
Molecular Weight413.89 g/mol
Exact Mass413.06
IUPAC Name3-amino-N-(2-chlorophenyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1cc2cc3c(N)c(C(=O)Nc4ccccc4Cl)sc3nc2cc1OC
InChIInChI=1S/C20H16ClN3O3S/c1-26-15-8-10-7-11-17(22)18(19(25)23-13-6-4-3-5-12(13)21)28-20(11)24-14(10)9-16(15)27-2/h3-9H,22H2,1-2H3,(H,23,25)
InChIKeyZPFNFYLYMUKPEA-UHFFFAOYSA-N
XLogP4.95
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.89
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(2,5-dimethoxyphenyl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide
CID 43812053
3-amino-N-(2-carbamoylphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3599566
3-amino-N-(2-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3207356
3-amino-N-(2-chlorophenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155927840
3-amino-N-(2-chlorophenyl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23913772
3-amino-N-(2-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316339
3-amino-7-methoxy-N-(4-methoxyphenyl)thieno[2,3-b]quinoline-2-carboxamide
CID 1132039
3-amino-N-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 44616017
3-amino-7-ethoxy-N-(2-methoxy-5-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide
CID 1146714
3-amino-N-(2,4-dimethoxyphenyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide
CID 1207174
3-amino-N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 118940972
3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132346

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chlorophenyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-(2-chlorophenyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide (CID 43812112) is 3-amino-N-(2-chlorophenyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-chlorophenyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-chlorophenyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide is COc1cc2cc3c(N)c(C(=O)Nc4ccccc4Cl)sc3nc2cc1OC.
What is the InChIKey of 3-amino-N-(2-chlorophenyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is ZPFNFYLYMUKPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3S/c1-26-15-8-10-7-11-17(22)18(19(25)23-13-6-4-3-5-12(13)21)28-20(11)24-14(10)9-16(15)27-2/h3-9H,22H2,1-2H3,(H,23,25).
What are the key properties of 3-amino-N-(2-chlorophenyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-(2-chlorophenyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 413.89 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chlorophenyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 43812112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).