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

C24H25N5O3 — CID 122431676

IUPAC4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccnc(OC)c2)nc2cc(C(=O)NCCCc3ccn[nH]3)ccc12
InChIInChI=1S/C24H25N5O3/c1-3-32-22-15-20(16-8-11-25-23(14-16)31-2)28-21-13-17(6-7-19(21)22)24(30)26-10-4-5-18-9-12-27-29-18/h6-9,11-15H,3-5,10H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyICVVTUFSCFPTIJ-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.79
Rot. Bonds9

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

4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide (PubChem CID 122431676) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide
PubChem CID122431676
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccnc(OC)c2)nc2cc(C(=O)NCCCc3ccn[nH]3)ccc12
InChIInChI=1S/C24H25N5O3/c1-3-32-22-15-20(16-8-11-25-23(14-16)31-2)28-21-13-17(6-7-19(21)22)24(30)26-10-4-5-18-9-12-27-29-18/h6-9,11-15H,3-5,10H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyICVVTUFSCFPTIJ-UHFFFAOYSA-N
XLogP3.79
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide (CID 122431676) is 4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide is CCOc1cc(-c2ccnc(OC)c2)nc2cc(C(=O)NCCCc3ccn[nH]3)ccc12.
What is the InChIKey of 4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide?
The InChIKey is ICVVTUFSCFPTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-3-32-22-15-20(16-8-11-25-23(14-16)31-2)28-21-13-17(6-7-19(21)22)24(30)26-10-4-5-18-9-12-27-29-18/h6-9,11-15H,3-5,10H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide?
4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide is sourced from PubChem (CID 122431676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).