N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-indazol-1-ylacetamide

C27H22FN5O5 — CID 11962495

IUPACN-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-indazol-1-ylacetamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)NC(=O)Cn4ncc5ccccc54)cc3F)c2cc1OC
InChIInChI=1S/C27H22FN5O5/c1-36-24-12-18-20(13-25(24)37-2)29-10-9-22(18)38-23-8-7-17(11-19(23)28)31-27(35)32-26(34)15-33-21-6-4-3-5-16(21)14-30-33/h3-14H,15H2,1-2H3,(H2,31,32,34,35)
InChIKeyBTGVZIUIODNRPG-UHFFFAOYSA-N
MW515.50 g/mol
LogP4.88
Rot. Bonds7

About N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-indazol-1-ylacetamide

N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-indazol-1-ylacetamide (PubChem CID 11962495) has the molecular formula C27H22FN5O5 and a molecular weight of 515.50 g/mol. Its IUPAC name is N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-indazol-1-ylacetamide.

Molecular Properties

Compound NameN-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-indazol-1-ylacetamide
PubChem CID11962495
Molecular FormulaC27H22FN5O5
Molecular Weight515.50 g/mol
Exact Mass515.16
IUPAC NameN-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-indazol-1-ylacetamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)NC(=O)Cn4ncc5ccccc54)cc3F)c2cc1OC
InChIInChI=1S/C27H22FN5O5/c1-36-24-12-18-20(13-25(24)37-2)29-10-9-22(18)38-23-8-7-17(11-19(23)28)31-27(35)32-26(34)15-33-21-6-4-3-5-16(21)14-30-33/h3-14H,15H2,1-2H3,(H2,31,32,34,35)
InChIKeyBTGVZIUIODNRPG-UHFFFAOYSA-N
XLogP4.88
TPSA116.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.50
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-ethylbenzamide
CID 59864354
2-cyclohexylsulfanyl-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]acetamide
CID 22935551
N-[[3-fluoro-4-[7-(3-imidazol-1-ylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]carbamoyl]-2-phenylacetamide
CID 22935495
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 56603407
N-[[3-fluoro-4-[7-(3-imidazol-1-ylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]carbamoyl]-2-(2-fluorophenyl)acetamide
CID 59791950
1-benzyl-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 177251200
2-(2,6-difluorophenyl)-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]acetamide
CID 59791956
N-[[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]carbamoyl]-2-(2-fluorophenyl)acetamide
CID 58249580
cis-(1R,2S)-1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3,3-dimethyl-2-N-naphthalen-1-ylcyclopropane-1,2-dicarboxamide
CID 178037610
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 154637961
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]urea
CID 135271540
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-[(4-methylphenyl)methylsulfonyl]urea
CID 155539894

Frequently Asked Questions

What is the IUPAC name of N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-indazol-1-ylacetamide?
The IUPAC name of N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-indazol-1-ylacetamide (CID 11962495) is N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-indazol-1-ylacetamide.
What is the SMILES notation for N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-indazol-1-ylacetamide?
The canonical SMILES for N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-indazol-1-ylacetamide is COc1cc2nccc(Oc3ccc(NC(=O)NC(=O)Cn4ncc5ccccc54)cc3F)c2cc1OC.
What is the InChIKey of N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-indazol-1-ylacetamide?
The InChIKey is BTGVZIUIODNRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN5O5/c1-36-24-12-18-20(13-25(24)37-2)29-10-9-22(18)38-23-8-7-17(11-19(23)28)31-27(35)32-26(34)15-33-21-6-4-3-5-16(21)14-30-33/h3-14H,15H2,1-2H3,(H2,31,32,34,35).
What are the key properties of N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-indazol-1-ylacetamide?
N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-indazol-1-ylacetamide has a molecular weight of 515.50 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-indazol-1-ylacetamide is sourced from PubChem (CID 11962495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).