N-[2-(diethylamino)ethyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide

C25H27N3O2S — CID 27375627

IUPACN-[2-(diethylamino)ethyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1sc2c(cnc3ccc(OC)cc32)c1-c1ccccc1
InChIInChI=1S/C25H27N3O2S/c1-4-28(5-2)14-13-26-25(29)24-22(17-9-7-6-8-10-17)20-16-27-21-12-11-18(30-3)15-19(21)23(20)31-24/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,26,29)
InChIKeyKIMIZIDUFQVYSQ-UHFFFAOYSA-N
MW433.58 g/mol
LogP5.20
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide

N-[2-(diethylamino)ethyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide (PubChem CID 27375627) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide
PubChem CID27375627
Molecular FormulaC25H27N3O2S
Molecular Weight433.58 g/mol
Exact Mass433.18
IUPAC NameN-[2-(diethylamino)ethyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1sc2c(cnc3ccc(OC)cc32)c1-c1ccccc1
InChIInChI=1S/C25H27N3O2S/c1-4-28(5-2)14-13-26-25(29)24-22(17-9-7-6-8-10-17)20-16-27-21-12-11-18(30-3)15-19(21)23(20)31-24/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,26,29)
InChIKeyKIMIZIDUFQVYSQ-UHFFFAOYSA-N
XLogP5.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.58
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide (CID 27375627) is N-[2-(diethylamino)ethyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide is CCN(CC)CCNC(=O)c1sc2c(cnc3ccc(OC)cc32)c1-c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is KIMIZIDUFQVYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2S/c1-4-28(5-2)14-13-26-25(29)24-22(17-9-7-6-8-10-17)20-16-27-21-12-11-18(30-3)15-19(21)23(20)31-24/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,26,29).
What are the key properties of N-[2-(diethylamino)ethyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
N-[2-(diethylamino)ethyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 433.58 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 27375627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).