2-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-methoxy-2-methylphenyl)quinoline-4-carboxamide

C24H24N4O2 — CID 19582704

IUPAC2-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-methoxy-2-methylphenyl)quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)Nc3ccc(OC)cc3C)c3ccccc3n2)c(C)n1
InChIInChI=1S/C24H24N4O2/c1-5-28-14-20(16(3)27-28)23-13-19(18-8-6-7-9-22(18)25-23)24(29)26-21-11-10-17(30-4)12-15(21)2/h6-14H,5H2,1-4H3,(H,26,29)
InChIKeyGUBHGNXRANWPQQ-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.00
Rot. Bonds5

About 2-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-methoxy-2-methylphenyl)quinoline-4-carboxamide

2-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-methoxy-2-methylphenyl)quinoline-4-carboxamide (PubChem CID 19582704) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-methoxy-2-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-methoxy-2-methylphenyl)quinoline-4-carboxamide
PubChem CID19582704
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name2-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-methoxy-2-methylphenyl)quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)Nc3ccc(OC)cc3C)c3ccccc3n2)c(C)n1
InChIInChI=1S/C24H24N4O2/c1-5-28-14-20(16(3)27-28)23-13-19(18-8-6-7-9-22(18)25-23)24(29)26-21-11-10-17(30-4)12-15(21)2/h6-14H,5H2,1-4H3,(H,26,29)
InChIKeyGUBHGNXRANWPQQ-UHFFFAOYSA-N
XLogP5.00
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-methoxy-2-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-methoxy-2-methylphenyl)quinoline-4-carboxamide (CID 19582704) is 2-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-methoxy-2-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-methoxy-2-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-methoxy-2-methylphenyl)quinoline-4-carboxamide is CCn1cc(-c2cc(C(=O)Nc3ccc(OC)cc3C)c3ccccc3n2)c(C)n1.
What is the InChIKey of 2-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-methoxy-2-methylphenyl)quinoline-4-carboxamide?
The InChIKey is GUBHGNXRANWPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-5-28-14-20(16(3)27-28)23-13-19(18-8-6-7-9-22(18)25-23)24(29)26-21-11-10-17(30-4)12-15(21)2/h6-14H,5H2,1-4H3,(H,26,29).
What are the key properties of 2-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-methoxy-2-methylphenyl)quinoline-4-carboxamide?
2-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-methoxy-2-methylphenyl)quinoline-4-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-methoxy-2-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 19582704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).