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

C24H25N5O3 — CID 146259096

IUPAC4-ethoxy-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(C)[nH]c2=O)nc2cc(C(=O)NCCCc3ccn[nH]3)ccc12
InChIInChI=1S/C24H25N5O3/c1-3-32-22-14-21(19-8-6-15(2)27-24(19)31)28-20-13-16(7-9-18(20)22)23(30)25-11-4-5-17-10-12-26-29-17/h6-10,12-14H,3-5,11H2,1-2H3,(H,25,30)(H,26,29)(H,27,31)
InChIKeyLRFDAKQCOZZXEG-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.38
Rot. Bonds8

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

4-ethoxy-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide (PubChem CID 146259096) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 4-ethoxy-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide
PubChem CID146259096
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name4-ethoxy-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(C)[nH]c2=O)nc2cc(C(=O)NCCCc3ccn[nH]3)ccc12
InChIInChI=1S/C24H25N5O3/c1-3-32-22-14-21(19-8-6-15(2)27-24(19)31)28-20-13-16(7-9-18(20)22)23(30)25-11-4-5-17-10-12-26-29-17/h6-10,12-14H,3-5,11H2,1-2H3,(H,25,30)(H,26,29)(H,27,31)
InChIKeyLRFDAKQCOZZXEG-UHFFFAOYSA-N
XLogP3.38
TPSA112.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-2-(4-fluoro-2-methoxyphenyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide
CID 122431466
4-ethoxy-2-(4-methylphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 134164673
4-ethoxy-2-(1-methyl-2-oxo-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 134164639
4-ethoxy-2-(6-methoxy-3-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide
CID 122431858
4-ethoxy-2-(3-methylphenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide
CID 134164669
2-cyclopropyl-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide
CID 122423973
N-[3-(2,3-dihydro-1H-1,2,4-triazol-5-yl)propyl]-4-ethoxy-2-[3-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 122431453
N-[2,2-difluoro-3-(1H-1,2,4-triazol-5-yl)propyl]-4-ethoxy-2-(4-fluorophenyl)quinoline-7-carboxamide
CID 122431668
4-ethoxy-3-fluoro-2-(4-fluorophenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 122431367
4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-oxo-1H-pyridin-3-yl)quinoline-7-carboxamide
CID 145126624
4-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide
CID 110731764
4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(4-isocyanophenyl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide
CID 159001687

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide (CID 146259096) is 4-ethoxy-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide is CCOc1cc(-c2ccc(C)[nH]c2=O)nc2cc(C(=O)NCCCc3ccn[nH]3)ccc12.
What is the InChIKey of 4-ethoxy-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide?
The InChIKey is LRFDAKQCOZZXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-3-32-22-14-21(19-8-6-15(2)27-24(19)31)28-20-13-16(7-9-18(20)22)23(30)25-11-4-5-17-10-12-26-29-17/h6-10,12-14H,3-5,11H2,1-2H3,(H,25,30)(H,26,29)(H,27,31).
What are the key properties of 4-ethoxy-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide?
4-ethoxy-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 3.38, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide is sourced from PubChem (CID 146259096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).