8-chloro-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide

C23H21ClN2OS — CID 50776734

IUPAC8-chloro-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide
SMILESCC(C)CCNC(=O)c1sc2c(cnc3ccc(Cl)cc32)c1-c1ccccc1
InChIInChI=1S/C23H21ClN2OS/c1-14(2)10-11-25-23(27)22-20(15-6-4-3-5-7-15)18-13-26-19-9-8-16(24)12-17(19)21(18)28-22/h3-9,12-14H,10-11H2,1-2H3,(H,25,27)
InChIKeyTZVQSCGRDAZJML-UHFFFAOYSA-N
MW408.95 g/mol
LogP6.55
Rot. Bonds5

About 8-chloro-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide

8-chloro-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide (PubChem CID 50776734) has the molecular formula C23H21ClN2OS and a molecular weight of 408.95 g/mol. Its IUPAC name is 8-chloro-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name8-chloro-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide
PubChem CID50776734
Molecular FormulaC23H21ClN2OS
Molecular Weight408.95 g/mol
Exact Mass408.11
IUPAC Name8-chloro-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide
SMILESCC(C)CCNC(=O)c1sc2c(cnc3ccc(Cl)cc32)c1-c1ccccc1
InChIInChI=1S/C23H21ClN2OS/c1-14(2)10-11-25-23(27)22-20(15-6-4-3-5-7-15)18-13-26-19-9-8-16(24)12-17(19)21(18)28-22/h3-9,12-14H,10-11H2,1-2H3,(H,25,27)
InChIKeyTZVQSCGRDAZJML-UHFFFAOYSA-N
XLogP6.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.95
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 8-chloro-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide (CID 50776734) is 8-chloro-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 8-chloro-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 8-chloro-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide is CC(C)CCNC(=O)c1sc2c(cnc3ccc(Cl)cc32)c1-c1ccccc1.
What is the InChIKey of 8-chloro-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is TZVQSCGRDAZJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2OS/c1-14(2)10-11-25-23(27)22-20(15-6-4-3-5-7-15)18-13-26-19-9-8-16(24)12-17(19)21(18)28-22/h3-9,12-14H,10-11H2,1-2H3,(H,25,27).
What are the key properties of 8-chloro-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
8-chloro-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 408.95 g/mol, XLogP of 6.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 50776734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).