3-amino-N-(2-carbamoylphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide

C20H16N4O3S — CID 3599566

IUPAC3-amino-N-(2-carbamoylphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2nc3sc(C(=O)Nc4ccccc4C(N)=O)c(N)c3cc2c1
InChIInChI=1S/C20H16N4O3S/c1-27-11-6-7-14-10(8-11)9-13-16(21)17(28-20(13)24-14)19(26)23-15-5-3-2-4-12(15)18(22)25/h2-9H,21H2,1H3,(H2,22,25)(H,23,26)
InChIKeyAQZQHCCDJXMIKY-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.39
Rot. Bonds4

About 3-amino-N-(2-carbamoylphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide

3-amino-N-(2-carbamoylphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide (PubChem CID 3599566) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is 3-amino-N-(2-carbamoylphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-carbamoylphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
PubChem CID3599566
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC Name3-amino-N-(2-carbamoylphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2nc3sc(C(=O)Nc4ccccc4C(N)=O)c(N)c3cc2c1
InChIInChI=1S/C20H16N4O3S/c1-27-11-6-7-14-10(8-11)9-13-16(21)17(28-20(13)24-14)19(26)23-15-5-3-2-4-12(15)18(22)25/h2-9H,21H2,1H3,(H2,22,25)(H,23,26)
InChIKeyAQZQHCCDJXMIKY-UHFFFAOYSA-N
XLogP3.39
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(2-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3207356
methyl 2-[(3-amino-6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]acetate
CID 155515018
3-amino-N-(2,5-dimethoxyphenyl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide
CID 43812053
3-amino-N-cyclopentyl-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 856692
3-amino-6-ethoxy-N-phenylthieno[2,3-b]quinoline-2-carboxamide
CID 1156787
3-amino-N-(2-chlorophenyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide
CID 43812112
3-amino-7-methoxy-N-(4-methoxyphenyl)thieno[2,3-b]quinoline-2-carboxamide
CID 1132039
2-[[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid
CID 21233658
3-amino-6-methoxy-N-(2-methylcyclohexyl)thieno[2,3-b]quinoline-2-carboxamide
CID 3167506
2-amino-N-(2-carbamoylphenyl)-5-methoxybenzamide
CID 60955502
3-amino-N-tert-butyl-6-ethoxythieno[2,3-b]quinoline-2-carboxamide
CID 3207407
methyl 3-amino-6-ethoxythieno[2,3-b]quinoline-2-carboxylate
CID 865502

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-carbamoylphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-(2-carbamoylphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide (CID 3599566) is 3-amino-N-(2-carbamoylphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-carbamoylphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-carbamoylphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide is COc1ccc2nc3sc(C(=O)Nc4ccccc4C(N)=O)c(N)c3cc2c1.
What is the InChIKey of 3-amino-N-(2-carbamoylphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is AQZQHCCDJXMIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c1-27-11-6-7-14-10(8-11)9-13-16(21)17(28-20(13)24-14)19(26)23-15-5-3-2-4-12(15)18(22)25/h2-9H,21H2,1H3,(H2,22,25)(H,23,26).
What are the key properties of 3-amino-N-(2-carbamoylphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-(2-carbamoylphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 392.44 g/mol, XLogP of 3.39, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-carbamoylphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 3599566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).