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

C26H25N3O3S — CID 139210820

IUPAC3-amino-4-(2,5-dimethoxyphenyl)-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc(OC)c(-c2c3c(nc4sc(C(=O)Nc5ccccc5)c(N)c24)CCCC3)c1
InChIInChI=1S/C26H25N3O3S/c1-31-16-12-13-20(32-2)18(14-16)21-17-10-6-7-11-19(17)29-26-22(21)23(27)24(33-26)25(30)28-15-8-4-3-5-9-15/h3-5,8-9,12-14H,6-7,10-11,27H2,1-2H3,(H,28,30)
InChIKeyHBSKEIXXNUIJRB-UHFFFAOYSA-N
MW459.57 g/mol
LogP5.69
Rot. Bonds5

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

3-amino-4-(2,5-dimethoxyphenyl)-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 139210820) has the molecular formula C26H25N3O3S and a molecular weight of 459.57 g/mol. Its IUPAC name is 3-amino-4-(2,5-dimethoxyphenyl)-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(2,5-dimethoxyphenyl)-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID139210820
Molecular FormulaC26H25N3O3S
Molecular Weight459.57 g/mol
Exact Mass459.16
IUPAC Name3-amino-4-(2,5-dimethoxyphenyl)-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc(OC)c(-c2c3c(nc4sc(C(=O)Nc5ccccc5)c(N)c24)CCCC3)c1
InChIInChI=1S/C26H25N3O3S/c1-31-16-12-13-20(32-2)18(14-16)21-17-10-6-7-11-19(17)29-26-22(21)23(27)24(33-26)25(30)28-15-8-4-3-5-9-15/h3-5,8-9,12-14H,6-7,10-11,27H2,1-2H3,(H,28,30)
InChIKeyHBSKEIXXNUIJRB-UHFFFAOYSA-N
XLogP5.69
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.57
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methylphenyl) 3-amino-4-(2,5-dimethoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxylate
CID 23476369
6-amino-N-phenyl-8-(4-propan-2-ylphenyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide
CID 4600062
6-amino-8-(4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide
CID 1201903
3-amino-N-(3,5-dichlorophenyl)-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 4182690
1-amino-N-(4-methoxyphenyl)-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 23475195
6-amino-N-[2,5-dimethoxy-4-(phenylcarbamoyl)phenyl]-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
CID 171133183
3-amino-N-(2-fluorophenyl)-4-(2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 23476307
3-amino-N-(2-methylphenyl)-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 3373769
(3-amino-4-pyridin-4-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-methoxyphenyl)methanone
CID 42648256
5-amino-N-(3-methoxyphenyl)-4-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 35177368
N-(4-acetylphenyl)-3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3165281
benzyl 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 5167661

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2,5-dimethoxyphenyl)-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-4-(2,5-dimethoxyphenyl)-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 139210820) is 3-amino-4-(2,5-dimethoxyphenyl)-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-4-(2,5-dimethoxyphenyl)-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-4-(2,5-dimethoxyphenyl)-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is COc1ccc(OC)c(-c2c3c(nc4sc(C(=O)Nc5ccccc5)c(N)c24)CCCC3)c1.
What is the InChIKey of 3-amino-4-(2,5-dimethoxyphenyl)-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is HBSKEIXXNUIJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S/c1-31-16-12-13-20(32-2)18(14-16)21-17-10-6-7-11-19(17)29-26-22(21)23(27)24(33-26)25(30)28-15-8-4-3-5-9-15/h3-5,8-9,12-14H,6-7,10-11,27H2,1-2H3,(H,28,30).
What are the key properties of 3-amino-4-(2,5-dimethoxyphenyl)-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
3-amino-4-(2,5-dimethoxyphenyl)-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 5.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2,5-dimethoxyphenyl)-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 139210820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).