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

C25H27N5O3 — CID 122431860

IUPAC4-ethoxy-2-(2-methoxy-6-methyl-3-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(C)nc2OC)nc2cc(C(=O)NCCCc3ccn[nH]3)ccc12
InChIInChI=1S/C25H27N5O3/c1-4-33-23-15-22(20-9-7-16(2)28-25(20)32-3)29-21-14-17(8-10-19(21)23)24(31)26-12-5-6-18-11-13-27-30-18/h7-11,13-15H,4-6,12H2,1-3H3,(H,26,31)(H,27,30)
InChIKeyKBNRKSTUIKOKEA-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.10
Rot. Bonds9

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

4-ethoxy-2-(2-methoxy-6-methyl-3-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide (PubChem CID 122431860) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 4-ethoxy-2-(2-methoxy-6-methyl-3-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(2-methoxy-6-methyl-3-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide
PubChem CID122431860
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name4-ethoxy-2-(2-methoxy-6-methyl-3-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(C)nc2OC)nc2cc(C(=O)NCCCc3ccn[nH]3)ccc12
InChIInChI=1S/C25H27N5O3/c1-4-33-23-15-22(20-9-7-16(2)28-25(20)32-3)29-21-14-17(8-10-19(21)23)24(31)26-12-5-6-18-11-13-27-30-18/h7-11,13-15H,4-6,12H2,1-3H3,(H,26,31)(H,27,30)
InChIKeyKBNRKSTUIKOKEA-UHFFFAOYSA-N
XLogP4.10
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.10
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-6-methyl-3-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(2-methoxy-6-methyl-3-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide (CID 122431860) is 4-ethoxy-2-(2-methoxy-6-methyl-3-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(2-methoxy-6-methyl-3-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(2-methoxy-6-methyl-3-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide is CCOc1cc(-c2ccc(C)nc2OC)nc2cc(C(=O)NCCCc3ccn[nH]3)ccc12.
What is the InChIKey of 4-ethoxy-2-(2-methoxy-6-methyl-3-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide?
The InChIKey is KBNRKSTUIKOKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-4-33-23-15-22(20-9-7-16(2)28-25(20)32-3)29-21-14-17(8-10-19(21)23)24(31)26-12-5-6-18-11-13-27-30-18/h7-11,13-15H,4-6,12H2,1-3H3,(H,26,31)(H,27,30).
What are the key properties of 4-ethoxy-2-(2-methoxy-6-methyl-3-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide?
4-ethoxy-2-(2-methoxy-6-methyl-3-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 4.10, 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-6-methyl-3-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide is sourced from PubChem (CID 122431860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).