(6S)-3-amino-N-(2,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

C21H23N3O3S — CID 1025352

IUPAC(6S)-3-amino-N-(2,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C[C@@H](C)CC4)c(OC)c1
InChIInChI=1S/C21H23N3O3S/c1-11-4-6-15-12(8-11)9-14-18(22)19(28-21(14)24-15)20(25)23-16-7-5-13(26-2)10-17(16)27-3/h5,7,9-11H,4,6,8,22H2,1-3H3,(H,23,25)/t11-/m0/s1
InChIKeyTWOYGTCMLDLQMP-NSHDSACASA-N
MW397.50 g/mol
LogP4.27
Rot. Bonds4

About (6S)-3-amino-N-(2,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

(6S)-3-amino-N-(2,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 1025352) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is (6S)-3-amino-N-(2,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name(6S)-3-amino-N-(2,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID1025352
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name(6S)-3-amino-N-(2,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C[C@@H](C)CC4)c(OC)c1
InChIInChI=1S/C21H23N3O3S/c1-11-4-6-15-12(8-11)9-14-18(22)19(28-21(14)24-15)20(25)23-16-7-5-13(26-2)10-17(16)27-3/h5,7,9-11H,4,6,8,22H2,1-3H3,(H,23,25)/t11-/m0/s1
InChIKeyTWOYGTCMLDLQMP-NSHDSACASA-N
XLogP4.27
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-N-(2,4-dimethoxyphenyl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
CID 1025275
3-amino-N-(2,5-dimethoxyphenyl)-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23832789
6-amino-N-(4-chloro-2-methoxyphenyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
CID 23944808
3-amino-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23830170
(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 23999169
3-amino-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23772164
3-amino-N-(2,4-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23888867
3-amino-N-(2,4-dimethoxyphenyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide
CID 1207174
3-amino-N-(3-methoxy-2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 155816310
3-amino-6-methyl-N-[4-(4-nitrophenyl)sulfanylphenyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23774821
3-amino-6-tert-butyl-N-(3,5-dimethoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23745662
(6R)-3-amino-N-(3-chloro-4-methoxyphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1004206

Frequently Asked Questions

What is the IUPAC name of (6S)-3-amino-N-(2,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of (6S)-3-amino-N-(2,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 1025352) is (6S)-3-amino-N-(2,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for (6S)-3-amino-N-(2,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for (6S)-3-amino-N-(2,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is COc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C[C@@H](C)CC4)c(OC)c1.
What is the InChIKey of (6S)-3-amino-N-(2,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is TWOYGTCMLDLQMP-NSHDSACASA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-11-4-6-15-12(8-11)9-14-18(22)19(28-21(14)24-15)20(25)23-16-7-5-13(26-2)10-17(16)27-3/h5,7,9-11H,4,6,8,22H2,1-3H3,(H,23,25)/t11-/m0/s1.
What are the key properties of (6S)-3-amino-N-(2,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
(6S)-3-amino-N-(2,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-amino-N-(2,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 1025352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).