N'-[6-[(6,7-dimethoxyquinolin-4-yl)amino]-3-pyridinyl]-N-(4-fluorophenyl)propanediamide

C25H22FN5O4 — CID 118612193

IUPACN'-[6-[(6,7-dimethoxyquinolin-4-yl)amino]-3-pyridinyl]-N-(4-fluorophenyl)propanediamide
SMILESCOc1cc2nccc(Nc3ccc(NC(=O)CC(=O)Nc4ccc(F)cc4)cn3)c2cc1OC
InChIInChI=1S/C25H22FN5O4/c1-34-21-11-18-19(9-10-27-20(18)12-22(21)35-2)31-23-8-7-17(14-28-23)30-25(33)13-24(32)29-16-5-3-15(26)4-6-16/h3-12,14H,13H2,1-2H3,(H,29,32)(H,30,33)(H,27,28,31)
InChIKeyCHOUUXRXJWXUGL-UHFFFAOYSA-N
MW475.48 g/mol
LogP4.50
Rot. Bonds8

About N'-[6-[(6,7-dimethoxyquinolin-4-yl)amino]-3-pyridinyl]-N-(4-fluorophenyl)propanediamide

N'-[6-[(6,7-dimethoxyquinolin-4-yl)amino]-3-pyridinyl]-N-(4-fluorophenyl)propanediamide (PubChem CID 118612193) has the molecular formula C25H22FN5O4 and a molecular weight of 475.48 g/mol. Its IUPAC name is N'-[6-[(6,7-dimethoxyquinolin-4-yl)amino]-3-pyridinyl]-N-(4-fluorophenyl)propanediamide.

Molecular Properties

Compound NameN'-[6-[(6,7-dimethoxyquinolin-4-yl)amino]-3-pyridinyl]-N-(4-fluorophenyl)propanediamide
PubChem CID118612193
Molecular FormulaC25H22FN5O4
Molecular Weight475.48 g/mol
Exact Mass475.17
IUPAC NameN'-[6-[(6,7-dimethoxyquinolin-4-yl)amino]-3-pyridinyl]-N-(4-fluorophenyl)propanediamide
SMILESCOc1cc2nccc(Nc3ccc(NC(=O)CC(=O)Nc4ccc(F)cc4)cn3)c2cc1OC
InChIInChI=1S/C25H22FN5O4/c1-34-21-11-18-19(9-10-27-20(18)12-22(21)35-2)31-23-8-7-17(14-28-23)30-25(33)13-24(32)29-16-5-3-15(26)4-6-16/h3-12,14H,13H2,1-2H3,(H,29,32)(H,30,33)(H,27,28,31)
InChIKeyCHOUUXRXJWXUGL-UHFFFAOYSA-N
XLogP4.50
TPSA114.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.48
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N'-[6-[(6,7-dimethoxyquinolin-4-yl)amino]-3-pyridinyl]-N-(4-fluorophenyl)propanediamide 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

6,7-diethoxy-N-(4-fluorophenyl)quinolin-4-amine
CID 50877941
N-[4-[[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenoxy]methyl]phenyl]acetamide
CID 44532199
N-[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]-1,2,3,4-tetrahydro-1,2,4-triazine-6-carboxamide
CID 140884388
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]butanamide
CID 113020075
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea
CID 69321364
trans-(1S,2R)-1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-fluoro-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 162648053
N'-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-ethyl-3-pyridinyl]-N-(3-fluoro-4-methylphenyl)propanediamide
CID 134566520
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine
CID 24999709
1-[2-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]ethanone
CID 53264744
2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide
CID 113021300
4-[(6-fluoroquinolin-4-yl)amino]-N-[6-(pyridin-4-ylamino)-3-pyridinyl]benzamide
CID 157044112
N-[6-(4-fluoroanilino)-3-pyridinyl]propanamide
CID 113018289

Frequently Asked Questions

What is the IUPAC name of N'-[6-[(6,7-dimethoxyquinolin-4-yl)amino]-3-pyridinyl]-N-(4-fluorophenyl)propanediamide?
The IUPAC name of N'-[6-[(6,7-dimethoxyquinolin-4-yl)amino]-3-pyridinyl]-N-(4-fluorophenyl)propanediamide (CID 118612193) is N'-[6-[(6,7-dimethoxyquinolin-4-yl)amino]-3-pyridinyl]-N-(4-fluorophenyl)propanediamide.
What is the SMILES notation for N'-[6-[(6,7-dimethoxyquinolin-4-yl)amino]-3-pyridinyl]-N-(4-fluorophenyl)propanediamide?
The canonical SMILES for N'-[6-[(6,7-dimethoxyquinolin-4-yl)amino]-3-pyridinyl]-N-(4-fluorophenyl)propanediamide is COc1cc2nccc(Nc3ccc(NC(=O)CC(=O)Nc4ccc(F)cc4)cn3)c2cc1OC.
What is the InChIKey of N'-[6-[(6,7-dimethoxyquinolin-4-yl)amino]-3-pyridinyl]-N-(4-fluorophenyl)propanediamide?
The InChIKey is CHOUUXRXJWXUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O4/c1-34-21-11-18-19(9-10-27-20(18)12-22(21)35-2)31-23-8-7-17(14-28-23)30-25(33)13-24(32)29-16-5-3-15(26)4-6-16/h3-12,14H,13H2,1-2H3,(H,29,32)(H,30,33)(H,27,28,31).
What are the key properties of N'-[6-[(6,7-dimethoxyquinolin-4-yl)amino]-3-pyridinyl]-N-(4-fluorophenyl)propanediamide?
N'-[6-[(6,7-dimethoxyquinolin-4-yl)amino]-3-pyridinyl]-N-(4-fluorophenyl)propanediamide has a molecular weight of 475.48 g/mol, XLogP of 4.50, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-[(6,7-dimethoxyquinolin-4-yl)amino]-3-pyridinyl]-N-(4-fluorophenyl)propanediamide is sourced from PubChem (CID 118612193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).