4-chloro-N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide

C23H23ClN2O3S — CID 46257034

IUPAC4-chloro-N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide
SMILESCCOCCCN(Cc1ccco1)C(=O)c1cc2c(Cl)nc3ccc(C)cc3c2s1
InChIInChI=1S/C23H23ClN2O3S/c1-3-28-10-5-9-26(14-16-6-4-11-29-16)23(27)20-13-18-21(30-20)17-12-15(2)7-8-19(17)25-22(18)24/h4,6-8,11-13H,3,5,9-10,14H2,1-2H3
InChIKeyUMJXQQMELZDIEN-UHFFFAOYSA-N
MW442.97 g/mol
LogP6.07
Rot. Bonds8

About 4-chloro-N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide

4-chloro-N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide (PubChem CID 46257034) has the molecular formula C23H23ClN2O3S and a molecular weight of 442.97 g/mol. Its IUPAC name is 4-chloro-N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide
PubChem CID46257034
Molecular FormulaC23H23ClN2O3S
Molecular Weight442.97 g/mol
Exact Mass442.11
IUPAC Name4-chloro-N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide
SMILESCCOCCCN(Cc1ccco1)C(=O)c1cc2c(Cl)nc3ccc(C)cc3c2s1
InChIInChI=1S/C23H23ClN2O3S/c1-3-28-10-5-9-26(14-16-6-4-11-29-16)23(27)20-13-18-21(30-20)17-12-15(2)7-8-19(17)25-22(18)24/h4,6-8,11-13H,3,5,9-10,14H2,1-2H3
InChIKeyUMJXQQMELZDIEN-UHFFFAOYSA-N
XLogP6.07
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.97
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide (CID 46257034) is 4-chloro-N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide is CCOCCCN(Cc1ccco1)C(=O)c1cc2c(Cl)nc3ccc(C)cc3c2s1.
What is the InChIKey of 4-chloro-N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is UMJXQQMELZDIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S/c1-3-28-10-5-9-26(14-16-6-4-11-29-16)23(27)20-13-18-21(30-20)17-12-15(2)7-8-19(17)25-22(18)24/h4,6-8,11-13H,3,5,9-10,14H2,1-2H3.
What are the key properties of 4-chloro-N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide?
4-chloro-N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 442.97 g/mol, XLogP of 6.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 46257034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).