4-[3-chloro-4-[[1-[2-[4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxyquinolin-6-yl]oxyethyl]pyrazol-4-yl]carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide

C45H39ClFN11O8 — CID 142284704

IUPAC4-[3-chloro-4-[[1-[2-[4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxyquinolin-6-yl]oxyethyl]pyrazol-4-yl]carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
SMILESCNC(=O)c1cc2c(Oc3ccc(NC(=O)Nc4cnn(CCOc5cc6c(Oc7ccc(NC(=O)Nc8cnn(C)c8)cc7F)ccnc6cc5OC)c4)c(Cl)c3)ccnc2cc1OC
InChIInChI=1S/C45H39ClFN11O8/c1-48-43(59)31-17-29-35(19-40(31)62-3)49-11-9-37(29)65-28-6-7-34(32(46)16-28)56-45(61)55-27-22-52-58(24-27)13-14-64-42-18-30-36(20-41(42)63-4)50-12-10-38(30)66-39-8-5-25(15-33(39)47)53-44(60)54-26-21-51-57(2)23-26/h5-12,15-24H,13-14H2,1-4H3,(H,48,59)(H2,53,54,60)(H2,55,56,61)
InChIKeyYRFMKOOTKKFPPE-UHFFFAOYSA-N
MW916.33 g/mol
LogP8.83
Rot. Bonds15

About 4-[3-chloro-4-[[1-[2-[4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxyquinolin-6-yl]oxyethyl]pyrazol-4-yl]carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide

4-[3-chloro-4-[[1-[2-[4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxyquinolin-6-yl]oxyethyl]pyrazol-4-yl]carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide (PubChem CID 142284704) has the molecular formula C45H39ClFN11O8 and a molecular weight of 916.33 g/mol. Its IUPAC name is 4-[3-chloro-4-[[1-[2-[4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxyquinolin-6-yl]oxyethyl]pyrazol-4-yl]carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-4-[[1-[2-[4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxyquinolin-6-yl]oxyethyl]pyrazol-4-yl]carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
PubChem CID142284704
Molecular FormulaC45H39ClFN11O8
Molecular Weight916.33 g/mol
Exact Mass915.27
IUPAC Name4-[3-chloro-4-[[1-[2-[4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxyquinolin-6-yl]oxyethyl]pyrazol-4-yl]carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
SMILESCNC(=O)c1cc2c(Oc3ccc(NC(=O)Nc4cnn(CCOc5cc6c(Oc7ccc(NC(=O)Nc8cnn(C)c8)cc7F)ccnc6cc5OC)c4)c(Cl)c3)ccnc2cc1OC
InChIInChI=1S/C45H39ClFN11O8/c1-48-43(59)31-17-29-35(19-40(31)62-3)49-11-9-37(29)65-28-6-7-34(32(46)16-28)56-45(61)55-27-22-52-58(24-27)13-14-64-42-18-30-36(20-41(42)63-4)50-12-10-38(30)66-39-8-5-25(15-33(39)47)53-44(60)54-26-21-51-57(2)23-26/h5-12,15-24H,13-14H2,1-4H3,(H,48,59)(H2,53,54,60)(H2,55,56,61)
InChIKeyYRFMKOOTKKFPPE-UHFFFAOYSA-N
XLogP8.83
TPSA218.93 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500916.33
LogP ≤ 58.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 4-[3-chloro-4-[[1-[2-[4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxyquinolin-6-yl]oxyethyl]pyrazol-4-yl]carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide with MolForge

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Related Compounds

1-(2-chloro-4-fluorophenyl)-4-ethoxy-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]pyrazole-3-carboxamide
CID 56846860
1-(2-chloro-4-fluorophenyl)-4-ethoxy-N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]pyrazole-3-carboxamide
CID 56847043
1-(2-chloro-4-fluorophenyl)-4-ethoxy-N-[3-fluoro-4-[6-methoxy-7-(3-piperazin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]pyrazole-3-carboxamide
CID 56847171
4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
CID 138706790
4-[[3-[[2-[1-[[4-(6-Carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chloro-3-fluorophenyl]carbamoyl]pyrrolidin-3-yl]cyclopropyl]carbamoylamino]cyclobutyl]methoxy]-7-methoxyquinoline-6-carboxamide
CID 145166792
4-[3-chloro-4-(cyclopropylcarbamoylamino)-2,6-difluorophenoxy]-7-methoxy-N-(1H-pyrazol-4-yl)quinoline-6-carboxamide
CID 169699530
4-[3-chloro-4-(cyclopropylcarbamoylamino)-2,6-difluorophenoxy]-7-methoxy-N-(1-methylpyrazol-4-yl)quinoline-6-carboxamide
CID 169699552
4-[3-Chloro-4-[(1-propan-2-ylpyrazol-4-yl)carbamothioylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 134334049
4-[3-Chloro-4-[1-[(1-propan-2-ylpyrazol-4-yl)amino]ethenylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 138569472
4-[3-chloro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
CID 138706789
4-[4-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide
CID 142410578
4-[4-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-3-chlorophenoxy]-7-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline-6-carboxamide
CID 142410590

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-[[1-[2-[4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxyquinolin-6-yl]oxyethyl]pyrazol-4-yl]carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide?
The IUPAC name of 4-[3-chloro-4-[[1-[2-[4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxyquinolin-6-yl]oxyethyl]pyrazol-4-yl]carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide (CID 142284704) is 4-[3-chloro-4-[[1-[2-[4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxyquinolin-6-yl]oxyethyl]pyrazol-4-yl]carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide.
What is the SMILES notation for 4-[3-chloro-4-[[1-[2-[4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxyquinolin-6-yl]oxyethyl]pyrazol-4-yl]carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide?
The canonical SMILES for 4-[3-chloro-4-[[1-[2-[4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxyquinolin-6-yl]oxyethyl]pyrazol-4-yl]carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide is CNC(=O)c1cc2c(Oc3ccc(NC(=O)Nc4cnn(CCOc5cc6c(Oc7ccc(NC(=O)Nc8cnn(C)c8)cc7F)ccnc6cc5OC)c4)c(Cl)c3)ccnc2cc1OC.
What is the InChIKey of 4-[3-chloro-4-[[1-[2-[4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxyquinolin-6-yl]oxyethyl]pyrazol-4-yl]carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide?
The InChIKey is YRFMKOOTKKFPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H39ClFN11O8/c1-48-43(59)31-17-29-35(19-40(31)62-3)49-11-9-37(29)65-28-6-7-34(32(46)16-28)56-45(61)55-27-22-52-58(24-27)13-14-64-42-18-30-36(20-41(42)63-4)50-12-10-38(30)66-39-8-5-25(15-33(39)47)53-44(60)54-26-21-51-57(2)23-26/h5-12,15-24H,13-14H2,1-4H3,(H,48,59)(H2,53,54,60)(H2,55,56,61).
What are the key properties of 4-[3-chloro-4-[[1-[2-[4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxyquinolin-6-yl]oxyethyl]pyrazol-4-yl]carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide?
4-[3-chloro-4-[[1-[2-[4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxyquinolin-6-yl]oxyethyl]pyrazol-4-yl]carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide has a molecular weight of 916.33 g/mol, XLogP of 8.83, 15 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-[[1-[2-[4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxyquinolin-6-yl]oxyethyl]pyrazol-4-yl]carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide is sourced from PubChem (CID 142284704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).