8-chloro-7-methoxy-N-(1-phenylethyl)thieno[2,3-b]quinoline-2-carboxamide

C21H17ClN2O2S — CID 20966526

IUPAC8-chloro-7-methoxy-N-(1-phenylethyl)thieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2cc3cc(C(=O)NC(C)c4ccccc4)sc3nc2c1Cl
InChIInChI=1S/C21H17ClN2O2S/c1-12(13-6-4-3-5-7-13)23-20(25)17-11-15-10-14-8-9-16(26-2)18(22)19(14)24-21(15)27-17/h3-12H,1-2H3,(H,23,25)
InChIKeySOCBLSWRDNUSOL-UHFFFAOYSA-N
MW396.90 g/mol
LogP5.60
Rot. Bonds4

About 8-chloro-7-methoxy-N-(1-phenylethyl)thieno[2,3-b]quinoline-2-carboxamide

8-chloro-7-methoxy-N-(1-phenylethyl)thieno[2,3-b]quinoline-2-carboxamide (PubChem CID 20966526) has the molecular formula C21H17ClN2O2S and a molecular weight of 396.90 g/mol. Its IUPAC name is 8-chloro-7-methoxy-N-(1-phenylethyl)thieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name8-chloro-7-methoxy-N-(1-phenylethyl)thieno[2,3-b]quinoline-2-carboxamide
PubChem CID20966526
Molecular FormulaC21H17ClN2O2S
Molecular Weight396.90 g/mol
Exact Mass396.07
IUPAC Name8-chloro-7-methoxy-N-(1-phenylethyl)thieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2cc3cc(C(=O)NC(C)c4ccccc4)sc3nc2c1Cl
InChIInChI=1S/C21H17ClN2O2S/c1-12(13-6-4-3-5-7-13)23-20(25)17-11-15-10-14-8-9-16(26-2)18(22)19(14)24-21(15)27-17/h3-12H,1-2H3,(H,23,25)
InChIKeySOCBLSWRDNUSOL-UHFFFAOYSA-N
XLogP5.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.90
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 40950006
5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
CID 9330177
N-[(1S)-1-phenylethyl]-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide
CID 92769174
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 2557457
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
4-methoxy-3-[[(1R)-1-phenylethyl]carbamoyl]benzoic acid
CID 129054309
N-(5-chloro-2-methoxyphenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7378760
N-(5-chloro-2-methoxyphenyl)-N'-(1-phenylethyl)oxamide
CID 2986502
3,5-dichloro-4-methoxy-N-[(1R)-1-phenylethyl]benzamide
CID 9033034
2-amino-4-(2-chloro-4-methylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 70841486
N-[(1R)-1-phenylethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9032455

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-methoxy-N-(1-phenylethyl)thieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 8-chloro-7-methoxy-N-(1-phenylethyl)thieno[2,3-b]quinoline-2-carboxamide (CID 20966526) is 8-chloro-7-methoxy-N-(1-phenylethyl)thieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 8-chloro-7-methoxy-N-(1-phenylethyl)thieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 8-chloro-7-methoxy-N-(1-phenylethyl)thieno[2,3-b]quinoline-2-carboxamide is COc1ccc2cc3cc(C(=O)NC(C)c4ccccc4)sc3nc2c1Cl.
What is the InChIKey of 8-chloro-7-methoxy-N-(1-phenylethyl)thieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is SOCBLSWRDNUSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2S/c1-12(13-6-4-3-5-7-13)23-20(25)17-11-15-10-14-8-9-16(26-2)18(22)19(14)24-21(15)27-17/h3-12H,1-2H3,(H,23,25).
What are the key properties of 8-chloro-7-methoxy-N-(1-phenylethyl)thieno[2,3-b]quinoline-2-carboxamide?
8-chloro-7-methoxy-N-(1-phenylethyl)thieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 396.90 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-methoxy-N-(1-phenylethyl)thieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 20966526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).