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

C18H16ClN3OS — CID 1315700

IUPAC3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESNC(=O)c1sc2nc3c(c(-c4ccc(Cl)cc4)c2c1N)CCCC3
InChIInChI=1S/C18H16ClN3OS/c19-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)22-18-14(13)15(20)16(24-18)17(21)23/h5-8H,1-4,20H2,(H2,21,23)
InChIKeyUDLDURPZHKKFKH-UHFFFAOYSA-N
MW357.87 g/mol
LogP4.18
Rot. Bonds2

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

3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 1315700) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is 3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID1315700
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC Name3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESNC(=O)c1sc2nc3c(c(-c4ccc(Cl)cc4)c2c1N)CCCC3
InChIInChI=1S/C18H16ClN3OS/c19-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)22-18-14(13)15(20)16(24-18)17(21)23/h5-8H,1-4,20H2,(H2,21,23)
InChIKeyUDLDURPZHKKFKH-UHFFFAOYSA-N
XLogP4.18
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 1315700) is 3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is NC(=O)c1sc2nc3c(c(-c4ccc(Cl)cc4)c2c1N)CCCC3.
What is the InChIKey of 3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is UDLDURPZHKKFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c19-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)22-18-14(13)15(20)16(24-18)17(21)23/h5-8H,1-4,20H2,(H2,21,23).
What are the key properties of 3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 357.87 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 1315700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).