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

C22H22ClN3O2S — CID 6622738

IUPAC4-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide
SMILESCc1ccc2nc(Cl)c3cc(C(=O)N(CCN(C)C)Cc4ccco4)sc3c2c1
InChIInChI=1S/C22H22ClN3O2S/c1-14-6-7-18-16(11-14)20-17(21(23)24-18)12-19(29-20)22(27)26(9-8-25(2)3)13-15-5-4-10-28-15/h4-7,10-12H,8-9,13H2,1-3H3
InChIKeyGZVKFJBGMUZJMD-UHFFFAOYSA-N
MW427.96 g/mol
LogP5.21
Rot. Bonds6

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

4-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide (PubChem CID 6622738) has the molecular formula C22H22ClN3O2S and a molecular weight of 427.96 g/mol. Its IUPAC name is 4-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide
PubChem CID6622738
Molecular FormulaC22H22ClN3O2S
Molecular Weight427.96 g/mol
Exact Mass427.11
IUPAC Name4-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide
SMILESCc1ccc2nc(Cl)c3cc(C(=O)N(CCN(C)C)Cc4ccco4)sc3c2c1
InChIInChI=1S/C22H22ClN3O2S/c1-14-6-7-18-16(11-14)20-17(21(23)24-18)12-19(29-20)22(27)26(9-8-25(2)3)13-15-5-4-10-28-15/h4-7,10-12H,8-9,13H2,1-3H3
InChIKeyGZVKFJBGMUZJMD-UHFFFAOYSA-N
XLogP5.21
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.96
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide (CID 6622738) is 4-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide is Cc1ccc2nc(Cl)c3cc(C(=O)N(CCN(C)C)Cc4ccco4)sc3c2c1.
What is the InChIKey of 4-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is GZVKFJBGMUZJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2S/c1-14-6-7-18-16(11-14)20-17(21(23)24-18)12-19(29-20)22(27)26(9-8-25(2)3)13-15-5-4-10-28-15/h4-7,10-12H,8-9,13H2,1-3H3.
What are the key properties of 4-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide?
4-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 427.96 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 6622738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).