N-butyl-4-chloro-N-methylthieno[3,2-c]quinoline-2-carboxamide

C17H17ClN2OS — CID 6622432

IUPACN-butyl-4-chloro-N-methylthieno[3,2-c]quinoline-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc2c(Cl)nc3ccccc3c2s1
InChIInChI=1S/C17H17ClN2OS/c1-3-4-9-20(2)17(21)14-10-12-15(22-14)11-7-5-6-8-13(11)19-16(12)18/h5-8,10H,3-4,9H2,1-2H3
InChIKeyPBIVRIXECNRTPQ-UHFFFAOYSA-N
MW332.86 g/mol
LogP4.97
Rot. Bonds4

About N-butyl-4-chloro-N-methylthieno[3,2-c]quinoline-2-carboxamide

N-butyl-4-chloro-N-methylthieno[3,2-c]quinoline-2-carboxamide (PubChem CID 6622432) has the molecular formula C17H17ClN2OS and a molecular weight of 332.86 g/mol. Its IUPAC name is N-butyl-4-chloro-N-methylthieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-butyl-4-chloro-N-methylthieno[3,2-c]quinoline-2-carboxamide
PubChem CID6622432
Molecular FormulaC17H17ClN2OS
Molecular Weight332.86 g/mol
Exact Mass332.08
IUPAC NameN-butyl-4-chloro-N-methylthieno[3,2-c]quinoline-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc2c(Cl)nc3ccccc3c2s1
InChIInChI=1S/C17H17ClN2OS/c1-3-4-9-20(2)17(21)14-10-12-15(22-14)11-7-5-6-8-13(11)19-16(12)18/h5-8,10H,3-4,9H2,1-2H3
InChIKeyPBIVRIXECNRTPQ-UHFFFAOYSA-N
XLogP4.97
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.86
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-chloro-N-methylthieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-butyl-4-chloro-N-methylthieno[3,2-c]quinoline-2-carboxamide (CID 6622432) is N-butyl-4-chloro-N-methylthieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-butyl-4-chloro-N-methylthieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-butyl-4-chloro-N-methylthieno[3,2-c]quinoline-2-carboxamide is CCCCN(C)C(=O)c1cc2c(Cl)nc3ccccc3c2s1.
What is the InChIKey of N-butyl-4-chloro-N-methylthieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is PBIVRIXECNRTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2OS/c1-3-4-9-20(2)17(21)14-10-12-15(22-14)11-7-5-6-8-13(11)19-16(12)18/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of N-butyl-4-chloro-N-methylthieno[3,2-c]quinoline-2-carboxamide?
N-butyl-4-chloro-N-methylthieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 332.86 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-chloro-N-methylthieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 6622432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).