4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-methoxy-3-pyridinyl)quinoline-7-carboxamide

C25H22N6O3 — CID 122431438

IUPAC4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-methoxy-3-pyridinyl)quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(OC)nc2)nc2cc(C(=O)NCc3nc4ccncc4[nH]3)ccc12
InChIInChI=1S/C25H22N6O3/c1-3-34-22-11-19(16-5-7-24(33-2)27-12-16)29-20-10-15(4-6-17(20)22)25(32)28-14-23-30-18-8-9-26-13-21(18)31-23/h4-13H,3,14H2,1-2H3,(H,28,32)(H,30,31)
InChIKeyOKHRFYUYZBYDDB-UHFFFAOYSA-N
MW454.49 g/mol
LogP3.91
Rot. Bonds7

About 4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-methoxy-3-pyridinyl)quinoline-7-carboxamide

4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-methoxy-3-pyridinyl)quinoline-7-carboxamide (PubChem CID 122431438) has the molecular formula C25H22N6O3 and a molecular weight of 454.49 g/mol. Its IUPAC name is 4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-methoxy-3-pyridinyl)quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-methoxy-3-pyridinyl)quinoline-7-carboxamide
PubChem CID122431438
Molecular FormulaC25H22N6O3
Molecular Weight454.49 g/mol
Exact Mass454.18
IUPAC Name4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-methoxy-3-pyridinyl)quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(OC)nc2)nc2cc(C(=O)NCc3nc4ccncc4[nH]3)ccc12
InChIInChI=1S/C25H22N6O3/c1-3-34-22-11-19(16-5-7-24(33-2)27-12-16)29-20-10-15(4-6-17(20)22)25(32)28-14-23-30-18-8-9-26-13-21(18)31-23/h4-13H,3,14H2,1-2H3,(H,28,32)(H,30,31)
InChIKeyOKHRFYUYZBYDDB-UHFFFAOYSA-N
XLogP3.91
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-methoxy-3-pyridinyl)quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-methoxy-3-pyridinyl)quinoline-7-carboxamide (CID 122431438) is 4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-methoxy-3-pyridinyl)quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-methoxy-3-pyridinyl)quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-methoxy-3-pyridinyl)quinoline-7-carboxamide is CCOc1cc(-c2ccc(OC)nc2)nc2cc(C(=O)NCc3nc4ccncc4[nH]3)ccc12.
What is the InChIKey of 4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-methoxy-3-pyridinyl)quinoline-7-carboxamide?
The InChIKey is OKHRFYUYZBYDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O3/c1-3-34-22-11-19(16-5-7-24(33-2)27-12-16)29-20-10-15(4-6-17(20)22)25(32)28-14-23-30-18-8-9-26-13-21(18)31-23/h4-13H,3,14H2,1-2H3,(H,28,32)(H,30,31).
What are the key properties of 4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-methoxy-3-pyridinyl)quinoline-7-carboxamide?
4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-methoxy-3-pyridinyl)quinoline-7-carboxamide has a molecular weight of 454.49 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-methoxy-3-pyridinyl)quinoline-7-carboxamide is sourced from PubChem (CID 122431438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).