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

C24H25N5O3 — CID 122431593

IUPAC4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2cccnc2OC)nc2cc(C(=O)NCCCc3ccn[nH]3)ccc12
InChIInChI=1S/C24H25N5O3/c1-3-32-22-15-21(19-7-5-12-26-24(19)31-2)28-20-14-16(8-9-18(20)22)23(30)25-11-4-6-17-10-13-27-29-17/h5,7-10,12-15H,3-4,6,11H2,1-2H3,(H,25,30)(H,27,29)
InChIKeyYFBCHSRLOQNELL-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.79
Rot. Bonds9

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

4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide (PubChem CID 122431593) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide
PubChem CID122431593
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2cccnc2OC)nc2cc(C(=O)NCCCc3ccn[nH]3)ccc12
InChIInChI=1S/C24H25N5O3/c1-3-32-22-15-21(19-7-5-12-26-24(19)31-2)28-20-14-16(8-9-18(20)22)23(30)25-11-4-6-17-10-13-27-29-17/h5,7-10,12-15H,3-4,6,11H2,1-2H3,(H,25,30)(H,27,29)
InChIKeyYFBCHSRLOQNELL-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-methoxy-6-pyridin-4-yl-1~{H}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 162679119
N-(2-aminophenyl)-4-[[4-[2-[3-(1-methylpyrazol-4-yl)-6-oxopyridazin-1-yl]ethoxy]quinolin-7-yl]oxymethyl]benzamide
CID 145964672
N-hydroxy-7-[4-[2-[3-(1-methylpyrazol-4-yl)-6-oxopyridazin-1-yl]ethoxy]quinolin-7-yl]oxyheptanamide
CID 145965638
6-(1-Methylpyrazol-4-yl)-2-[2-[7-(6-oxoheptoxy)quinolin-4-yl]oxyethyl]pyridazin-3-one
CID 145968221
N-hydroxy-6-[4-[2-[3-(1-methylpyrazol-4-yl)-6-oxopyridazin-1-yl]ethoxy]quinolin-7-yl]oxyhexanamide
CID 145976817
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(furan-3-yl)-4-pyridinyl]quinolin-4-amine
CID 164609521
N-methyl-3-pyridin-4-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 56596227
N-methyl-3-pyridin-2-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 56596231
N-[(4-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
CID 57394244
N-[2-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
CID 57394245
N-[(2-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
CID 57395998
N-methyl-3-pyridin-3-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 67124352

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide (CID 122431593) is 4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide is CCOc1cc(-c2cccnc2OC)nc2cc(C(=O)NCCCc3ccn[nH]3)ccc12.
What is the InChIKey of 4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide?
The InChIKey is YFBCHSRLOQNELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-3-32-22-15-21(19-7-5-12-26-24(19)31-2)28-20-14-16(8-9-18(20)22)23(30)25-11-4-6-17-10-13-27-29-17/h5,7-10,12-15H,3-4,6,11H2,1-2H3,(H,25,30)(H,27,29).
What are the key properties of 4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide?
4-ethoxy-2-(2-methoxy-3-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-3-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide is sourced from PubChem (CID 122431593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).