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

C23H19ClN4OS — CID 4074447

IUPAC3-amino-N-(2-chloro-3-pyridinyl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESNc1c(C(=O)Nc2cccnc2Cl)sc2nc3c(cc12)CC(c1ccccc1)CC3
InChIInChI=1S/C23H19ClN4OS/c24-21-18(7-4-10-26-21)27-22(29)20-19(25)16-12-15-11-14(13-5-2-1-3-6-13)8-9-17(15)28-23(16)30-20/h1-7,10,12,14H,8-9,11,25H2,(H,27,29)
InChIKeyVTVCDHGWRWFMKN-UHFFFAOYSA-N
MW434.95 g/mol
LogP5.45
Rot. Bonds3

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

3-amino-N-(2-chloro-3-pyridinyl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 4074447) has the molecular formula C23H19ClN4OS and a molecular weight of 434.95 g/mol. Its IUPAC name is 3-amino-N-(2-chloro-3-pyridinyl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-chloro-3-pyridinyl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID4074447
Molecular FormulaC23H19ClN4OS
Molecular Weight434.95 g/mol
Exact Mass434.10
IUPAC Name3-amino-N-(2-chloro-3-pyridinyl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESNc1c(C(=O)Nc2cccnc2Cl)sc2nc3c(cc12)CC(c1ccccc1)CC3
InChIInChI=1S/C23H19ClN4OS/c24-21-18(7-4-10-26-21)27-22(29)20-19(25)16-12-15-11-14(13-5-2-1-3-6-13)8-9-17(15)28-23(16)30-20/h1-7,10,12,14H,8-9,11,25H2,(H,27,29)
InChIKeyVTVCDHGWRWFMKN-UHFFFAOYSA-N
XLogP5.45
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.95
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-amino-N-(2-chloro-3-pyridinyl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide with MolForge

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Related Compounds

3-amino-N-(2-cyanophenyl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23944846
3-amino-N-(3-chloro-4-methoxyphenyl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23832692
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-N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23944847
ethyl 2-[(3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 23830029
[(6R)-3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-nitrophenyl)methanone
CID 124585248
3-amino-6-tert-butyl-N-(3-carbamoyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23888923
3-amino-6-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 3418824
6-amino-N-(3-carbamoyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
CID 23774785
3-amino-6-tert-butyl-N-(2,3-dimethylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23774829
(3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 23744148
3-amino-6-benzyl-N-quinolin-8-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 155927491

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chloro-3-pyridinyl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-(2-chloro-3-pyridinyl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 4074447) is 3-amino-N-(2-chloro-3-pyridinyl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-chloro-3-pyridinyl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-chloro-3-pyridinyl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is Nc1c(C(=O)Nc2cccnc2Cl)sc2nc3c(cc12)CC(c1ccccc1)CC3.
What is the InChIKey of 3-amino-N-(2-chloro-3-pyridinyl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is VTVCDHGWRWFMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4OS/c24-21-18(7-4-10-26-21)27-22(29)20-19(25)16-12-15-11-14(13-5-2-1-3-6-13)8-9-17(15)28-23(16)30-20/h1-7,10,12,14H,8-9,11,25H2,(H,27,29).
What are the key properties of 3-amino-N-(2-chloro-3-pyridinyl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-(2-chloro-3-pyridinyl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 434.95 g/mol, XLogP of 5.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chloro-3-pyridinyl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 4074447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).