1-N'-[4-[(3-chloro-4-methyl-3H-quinoxalin-5-yl)oxy]-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

C26H21ClF2N4O3 — CID 155276424

IUPAC1-N'-[4-[(3-chloro-4-methyl-3H-quinoxalin-5-yl)oxy]-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCN1c2c(cccc2Oc2ccc(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)N=CC1Cl
InChIInChI=1S/C26H21ClF2N4O3/c1-33-22(27)14-30-19-3-2-4-21(23(19)33)36-20-10-9-17(13-18(20)29)32-25(35)26(11-12-26)24(34)31-16-7-5-15(28)6-8-16/h2-10,13-14,22H,11-12H2,1H3,(H,31,34)(H,32,35)
InChIKeyCANPIGSQUFJOSE-UHFFFAOYSA-N
MW510.93 g/mol
LogP5.83
Rot. Bonds6

About 1-N'-[4-[(3-chloro-4-methyl-3H-quinoxalin-5-yl)oxy]-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

1-N'-[4-[(3-chloro-4-methyl-3H-quinoxalin-5-yl)oxy]-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 155276424) has the molecular formula C26H21ClF2N4O3 and a molecular weight of 510.93 g/mol. Its IUPAC name is 1-N'-[4-[(3-chloro-4-methyl-3H-quinoxalin-5-yl)oxy]-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[4-[(3-chloro-4-methyl-3H-quinoxalin-5-yl)oxy]-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID155276424
Molecular FormulaC26H21ClF2N4O3
Molecular Weight510.93 g/mol
Exact Mass510.13
IUPAC Name1-N'-[4-[(3-chloro-4-methyl-3H-quinoxalin-5-yl)oxy]-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCN1c2c(cccc2Oc2ccc(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)N=CC1Cl
InChIInChI=1S/C26H21ClF2N4O3/c1-33-22(27)14-30-19-3-2-4-21(23(19)33)36-20-10-9-17(13-18(20)29)32-25(35)26(11-12-26)24(34)31-16-7-5-15(28)6-8-16/h2-10,13-14,22H,11-12H2,1H3,(H,31,34)(H,32,35)
InChIKeyCANPIGSQUFJOSE-UHFFFAOYSA-N
XLogP5.83
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.93
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-N'-[4-[(3-chloro-4-methyl-3H-quinoxalin-5-yl)oxy]-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide 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

1-N'-[3-fluoro-4-[6-methoxy-7-(methylamino)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 130443881
1-N'-[4-[(5-carbamoyl-3-methyl-2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)oxy]-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 143536502
1-N'-[4-(7-bromoquinolin-4-yl)oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 155382114
1-N'-[3-fluoro-4-[2-(3-methoxyanilino)pyrimidin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 90644959
1-N'-[3-fluoro-4-[6-[2-(hydroxyamino)-2-oxoethoxy]-7-methoxyquinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 71465577
1-N'-[3-fluoro-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 24983250
1-N'-[3-fluoro-4-[2-[(4-methylpiperazin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 71097796
1-N'-[4-(2,3-dimethoxyquinoxalin-5-yl)oxy-3-fluorophenyl]-1-N-(4-methylsulfonylphenyl)cyclopropane-1,1-dicarboxamide
CID 71727335
potassium 2-[4-[2-fluoro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxyacetate
CID 139415241
1-N'-[3-fluoro-4-(6-methoxy-7-propan-2-yloxyquinolin-4-yl)oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 167060433
1-N'-[4-[(7,8-dimethoxy-[1]benzofuro[3,2-b]pyridin-4-yl)oxy]-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 85469786
1-N,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane
CID 159939709

Frequently Asked Questions

What is the IUPAC name of 1-N'-[4-[(3-chloro-4-methyl-3H-quinoxalin-5-yl)oxy]-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[4-[(3-chloro-4-methyl-3H-quinoxalin-5-yl)oxy]-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (CID 155276424) is 1-N'-[4-[(3-chloro-4-methyl-3H-quinoxalin-5-yl)oxy]-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[4-[(3-chloro-4-methyl-3H-quinoxalin-5-yl)oxy]-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[4-[(3-chloro-4-methyl-3H-quinoxalin-5-yl)oxy]-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is CN1c2c(cccc2Oc2ccc(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)N=CC1Cl.
What is the InChIKey of 1-N'-[4-[(3-chloro-4-methyl-3H-quinoxalin-5-yl)oxy]-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is CANPIGSQUFJOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClF2N4O3/c1-33-22(27)14-30-19-3-2-4-21(23(19)33)36-20-10-9-17(13-18(20)29)32-25(35)26(11-12-26)24(34)31-16-7-5-15(28)6-8-16/h2-10,13-14,22H,11-12H2,1H3,(H,31,34)(H,32,35).
What are the key properties of 1-N'-[4-[(3-chloro-4-methyl-3H-quinoxalin-5-yl)oxy]-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
1-N'-[4-[(3-chloro-4-methyl-3H-quinoxalin-5-yl)oxy]-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 510.93 g/mol, XLogP of 5.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[4-[(3-chloro-4-methyl-3H-quinoxalin-5-yl)oxy]-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 155276424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).