3-amino-N-[(2-chlorophenyl)methyl]-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

C21H22ClN3OS — CID 3790892

IUPAC3-amino-N-[(2-chlorophenyl)methyl]-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCCC1CCc2nc3sc(C(=O)NCc4ccccc4Cl)c(N)c3cc2C1
InChIInChI=1S/C21H22ClN3OS/c1-2-12-7-8-17-14(9-12)10-15-18(23)19(27-21(15)25-17)20(26)24-11-13-5-3-4-6-16(13)22/h3-6,10,12H,2,7-9,11,23H2,1H3,(H,24,26)
InChIKeyRNCFVPVQGJGUJX-UHFFFAOYSA-N
MW399.95 g/mol
LogP4.98
Rot. Bonds4

About 3-amino-N-[(2-chlorophenyl)methyl]-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

3-amino-N-[(2-chlorophenyl)methyl]-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 3790892) has the molecular formula C21H22ClN3OS and a molecular weight of 399.95 g/mol. Its IUPAC name is 3-amino-N-[(2-chlorophenyl)methyl]-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2-chlorophenyl)methyl]-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID3790892
Molecular FormulaC21H22ClN3OS
Molecular Weight399.95 g/mol
Exact Mass399.12
IUPAC Name3-amino-N-[(2-chlorophenyl)methyl]-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCCC1CCc2nc3sc(C(=O)NCc4ccccc4Cl)c(N)c3cc2C1
InChIInChI=1S/C21H22ClN3OS/c1-2-12-7-8-17-14(9-12)10-15-18(23)19(27-21(15)25-17)20(26)24-11-13-5-3-4-6-16(13)22/h3-6,10,12H,2,7-9,11,23H2,1H3,(H,24,26)
InChIKeyRNCFVPVQGJGUJX-UHFFFAOYSA-N
XLogP4.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.95
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[(2-chlorophenyl)methyl]-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide with MolForge

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Related Compounds

3-amino-6-ethyl-N-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 3154866
3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 6463985
(6R)-3-amino-N-(3-chloro-4-methoxyphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1004206
3-amino-N-(3,4-dimethylphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 4196604
3-amino-N-(3-chloro-4-methoxyphenyl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23832692
6-amino-N-(2-ethylphenyl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
CID 171133147
ethyl (6R)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 839012
3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23997973
3-amino-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 21232418
3-amino-N-(2-cyanophenyl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23944846
3-amino-6-tert-butyl-N-(2,3-dimethylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23774829
3-amino-N-(2-ethylphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 20866587

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-chlorophenyl)methyl]-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-[(2-chlorophenyl)methyl]-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 3790892) is 3-amino-N-[(2-chlorophenyl)methyl]-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2-chlorophenyl)methyl]-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2-chlorophenyl)methyl]-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is CCC1CCc2nc3sc(C(=O)NCc4ccccc4Cl)c(N)c3cc2C1.
What is the InChIKey of 3-amino-N-[(2-chlorophenyl)methyl]-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is RNCFVPVQGJGUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3OS/c1-2-12-7-8-17-14(9-12)10-15-18(23)19(27-21(15)25-17)20(26)24-11-13-5-3-4-6-16(13)22/h3-6,10,12H,2,7-9,11,23H2,1H3,(H,24,26).
What are the key properties of 3-amino-N-[(2-chlorophenyl)methyl]-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-[(2-chlorophenyl)methyl]-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 399.95 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-chlorophenyl)methyl]-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 3790892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).