4-ethoxy-2-(6-methoxy-3-pyridinyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide

C24H25N5O3 — CID 122431563

IUPAC4-ethoxy-2-(6-methoxy-3-pyridinyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(OC)nc2)nc2cc(C(=O)NCCc3cn[nH]c3C)ccc12
InChIInChI=1S/C24H25N5O3/c1-4-32-22-12-20(18-6-8-23(31-3)26-13-18)28-21-11-16(5-7-19(21)22)24(30)25-10-9-17-14-27-29-15(17)2/h5-8,11-14H,4,9-10H2,1-3H3,(H,25,30)(H,27,29)
InChIKeyHJTNFQLZOASQGD-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.71
Rot. Bonds8

About 4-ethoxy-2-(6-methoxy-3-pyridinyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide

4-ethoxy-2-(6-methoxy-3-pyridinyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide (PubChem CID 122431563) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 4-ethoxy-2-(6-methoxy-3-pyridinyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(6-methoxy-3-pyridinyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide
PubChem CID122431563
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name4-ethoxy-2-(6-methoxy-3-pyridinyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(OC)nc2)nc2cc(C(=O)NCCc3cn[nH]c3C)ccc12
InChIInChI=1S/C24H25N5O3/c1-4-32-22-12-20(18-6-8-23(31-3)26-13-18)28-21-11-16(5-7-19(21)22)24(30)25-10-9-17-14-27-29-15(17)2/h5-8,11-14H,4,9-10H2,1-3H3,(H,25,30)(H,27,29)
InChIKeyHJTNFQLZOASQGD-UHFFFAOYSA-N
XLogP3.71
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(6-methoxy-3-pyridinyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(6-methoxy-3-pyridinyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide (CID 122431563) is 4-ethoxy-2-(6-methoxy-3-pyridinyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(6-methoxy-3-pyridinyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(6-methoxy-3-pyridinyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide is CCOc1cc(-c2ccc(OC)nc2)nc2cc(C(=O)NCCc3cn[nH]c3C)ccc12.
What is the InChIKey of 4-ethoxy-2-(6-methoxy-3-pyridinyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide?
The InChIKey is HJTNFQLZOASQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-4-32-22-12-20(18-6-8-23(31-3)26-13-18)28-21-11-16(5-7-19(21)22)24(30)25-10-9-17-14-27-29-15(17)2/h5-8,11-14H,4,9-10H2,1-3H3,(H,25,30)(H,27,29).
What are the key properties of 4-ethoxy-2-(6-methoxy-3-pyridinyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide?
4-ethoxy-2-(6-methoxy-3-pyridinyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(6-methoxy-3-pyridinyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide is sourced from PubChem (CID 122431563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).