N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide

C21H24N2O2S — CID 92656948

IUPACN-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2nc3sc(C(=O)N[C@@H]4CCC[C@H](C)[C@@H]4C)cc3cc2c1
InChIInChI=1S/C21H24N2O2S/c1-12-5-4-6-17(13(12)2)22-20(24)19-11-15-9-14-10-16(25-3)7-8-18(14)23-21(15)26-19/h7-13,17H,4-6H2,1-3H3,(H,22,24)/t12-,13-,17+/m0/s1
InChIKeyUEFFPBDEFLSMJU-GDZNZVCISA-N
MW368.50 g/mol
LogP5.01
Rot. Bonds3

About N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide

N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide (PubChem CID 92656948) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide
PubChem CID92656948
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2nc3sc(C(=O)N[C@@H]4CCC[C@H](C)[C@@H]4C)cc3cc2c1
InChIInChI=1S/C21H24N2O2S/c1-12-5-4-6-17(13(12)2)22-20(24)19-11-15-9-14-10-16(25-3)7-8-18(14)23-21(15)26-19/h7-13,17H,4-6H2,1-3H3,(H,22,24)/t12-,13-,17+/m0/s1
InChIKeyUEFFPBDEFLSMJU-GDZNZVCISA-N
XLogP5.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.50
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide with MolForge

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Related Compounds

3-amino-6-methoxy-N-(2-methylcyclohexyl)thieno[2,3-b]quinoline-2-carboxamide
CID 3167506
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide
CID 51665263
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 93050560
6-methoxy-N-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide
CID 5189392
6-methoxy-N-[(2-methoxyphenyl)methyl]thieno[2,3-b]quinoline-2-carboxamide
CID 22434613
3-amino-N-cyclopentyl-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 856692
N-[(5-bromo-2-methoxyphenyl)methyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 15999971
4-chloro-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-8-methylthieno[3,2-c]quinoline-2-carboxamide
CID 92666311
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 92695624
ethyl 4-[(7-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate
CID 46249798
5-bromo-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide
CID 79999575
N-(3,5-dimethoxyphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide
CID 20966485

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide (CID 92656948) is N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide is COc1ccc2nc3sc(C(=O)N[C@@H]4CCC[C@H](C)[C@@H]4C)cc3cc2c1.
What is the InChIKey of N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is UEFFPBDEFLSMJU-GDZNZVCISA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-12-5-4-6-17(13(12)2)22-20(24)19-11-15-9-14-10-16(25-3)7-8-18(14)23-21(15)26-19/h7-13,17H,4-6H2,1-3H3,(H,22,24)/t12-,13-,17+/m0/s1.
What are the key properties of N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide?
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 92656948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).