2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide

C23H18ClN5O2S — CID 122431396

IUPAC2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(Cl)s2)nc2cc(C(=O)NCc3nc4ccncc4[nH]3)ccc12
InChIInChI=1S/C23H18ClN5O2S/c1-2-31-19-10-17(20-5-6-21(24)32-20)27-16-9-13(3-4-14(16)19)23(30)26-12-22-28-15-7-8-25-11-18(15)29-22/h3-11H,2,12H2,1H3,(H,26,30)(H,28,29)
InChIKeyJUQZTIJQIHDAJH-UHFFFAOYSA-N
MW463.95 g/mol
LogP5.22
Rot. Bonds6

About 2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide

2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide (PubChem CID 122431396) has the molecular formula C23H18ClN5O2S and a molecular weight of 463.95 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide
PubChem CID122431396
Molecular FormulaC23H18ClN5O2S
Molecular Weight463.95 g/mol
Exact Mass463.09
IUPAC Name2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(Cl)s2)nc2cc(C(=O)NCc3nc4ccncc4[nH]3)ccc12
InChIInChI=1S/C23H18ClN5O2S/c1-2-31-19-10-17(20-5-6-21(24)32-20)27-16-9-13(3-4-14(16)19)23(30)26-12-22-28-15-7-8-25-11-18(15)29-22/h3-11H,2,12H2,1H3,(H,26,30)(H,28,29)
InChIKeyJUQZTIJQIHDAJH-UHFFFAOYSA-N
XLogP5.22
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.95
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide (CID 122431396) is 2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide is CCOc1cc(-c2ccc(Cl)s2)nc2cc(C(=O)NCc3nc4ccncc4[nH]3)ccc12.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide?
The InChIKey is JUQZTIJQIHDAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O2S/c1-2-31-19-10-17(20-5-6-21(24)32-20)27-16-9-13(3-4-14(16)19)23(30)26-12-22-28-15-7-8-25-11-18(15)29-22/h3-11H,2,12H2,1H3,(H,26,30)(H,28,29).
What are the key properties of 2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide?
2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide has a molecular weight of 463.95 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide is sourced from PubChem (CID 122431396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).