3-amino-6-methoxy-N-(2-methylcyclohexyl)thieno[2,3-b]quinoline-2-carboxamide

C20H23N3O2S — CID 3167506

IUPAC3-amino-6-methoxy-N-(2-methylcyclohexyl)thieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2nc3sc(C(=O)NC4CCCCC4C)c(N)c3cc2c1
InChIInChI=1S/C20H23N3O2S/c1-11-5-3-4-6-15(11)22-19(24)18-17(21)14-10-12-9-13(25-2)7-8-16(12)23-20(14)26-18/h7-11,15H,3-6,21H2,1-2H3,(H,22,24)
InChIKeySZHPNYFNZNVWAF-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.35
Rot. Bonds3

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

3-amino-6-methoxy-N-(2-methylcyclohexyl)thieno[2,3-b]quinoline-2-carboxamide (PubChem CID 3167506) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-amino-6-methoxy-N-(2-methylcyclohexyl)thieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methoxy-N-(2-methylcyclohexyl)thieno[2,3-b]quinoline-2-carboxamide
PubChem CID3167506
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name3-amino-6-methoxy-N-(2-methylcyclohexyl)thieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2nc3sc(C(=O)NC4CCCCC4C)c(N)c3cc2c1
InChIInChI=1S/C20H23N3O2S/c1-11-5-3-4-6-15(11)22-19(24)18-17(21)14-10-12-9-13(25-2)7-8-16(12)23-20(14)26-18/h7-11,15H,3-6,21H2,1-2H3,(H,22,24)
InChIKeySZHPNYFNZNVWAF-UHFFFAOYSA-N
XLogP4.35
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-cyclopentyl-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 856692
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 92656948
methyl 2-[(3-amino-6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]acetate
CID 155515018
5-amino-N-(2-methylcyclopentyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519255
3-amino-N-(2-carbamoylphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3599566
2-amino-4-methoxy-N-(2-methylcyclopentyl)benzamide
CID 115413242
3-amino-N-tert-butyl-6-ethoxythieno[2,3-b]quinoline-2-carboxamide
CID 3207407
3-amino-N-(2-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3207356
3-amino-7-methoxy-N-(4-methoxyphenyl)thieno[2,3-b]quinoline-2-carboxamide
CID 1132039
methyl 3-amino-6-ethoxythieno[2,3-b]quinoline-2-carboxylate
CID 865502
2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 40793133
2-hydroxy-5-methoxy-N-(2-methylcyclohexyl)benzamide
CID 54943452

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methoxy-N-(2-methylcyclohexyl)thieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-6-methoxy-N-(2-methylcyclohexyl)thieno[2,3-b]quinoline-2-carboxamide (CID 3167506) is 3-amino-6-methoxy-N-(2-methylcyclohexyl)thieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-6-methoxy-N-(2-methylcyclohexyl)thieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-6-methoxy-N-(2-methylcyclohexyl)thieno[2,3-b]quinoline-2-carboxamide is COc1ccc2nc3sc(C(=O)NC4CCCCC4C)c(N)c3cc2c1.
What is the InChIKey of 3-amino-6-methoxy-N-(2-methylcyclohexyl)thieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is SZHPNYFNZNVWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-11-5-3-4-6-15(11)22-19(24)18-17(21)14-10-12-9-13(25-2)7-8-16(12)23-20(14)26-18/h7-11,15H,3-6,21H2,1-2H3,(H,22,24).
What are the key properties of 3-amino-6-methoxy-N-(2-methylcyclohexyl)thieno[2,3-b]quinoline-2-carboxamide?
3-amino-6-methoxy-N-(2-methylcyclohexyl)thieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methoxy-N-(2-methylcyclohexyl)thieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 3167506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).