5-[6-[[carbamoyl(2-fluoroethyl)amino]carbamoyl]-7-methoxyquinolin-4-yl]oxy-N-(2-fluoroethyl)indole-1-carboxamide

C25H24F2N6O5 — CID 87307976

IUPAC5-[6-[[carbamoyl(2-fluoroethyl)amino]carbamoyl]-7-methoxyquinolin-4-yl]oxy-N-(2-fluoroethyl)indole-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(ccn4C(=O)NCCF)c3)c2cc1C(=O)NN(CCF)C(N)=O
InChIInChI=1S/C25H24F2N6O5/c1-37-22-14-19-17(13-18(22)23(34)31-33(11-7-27)24(28)35)21(4-8-29-19)38-16-2-3-20-15(12-16)5-10-32(20)25(36)30-9-6-26/h2-5,8,10,12-14H,6-7,9,11H2,1H3,(H2,28,35)(H,30,36)(H,31,34)
InChIKeyCDULOMJYGQNGQD-UHFFFAOYSA-N
MW526.50 g/mol
LogP3.51
Rot. Bonds8

About 5-[6-[[carbamoyl(2-fluoroethyl)amino]carbamoyl]-7-methoxyquinolin-4-yl]oxy-N-(2-fluoroethyl)indole-1-carboxamide

5-[6-[[carbamoyl(2-fluoroethyl)amino]carbamoyl]-7-methoxyquinolin-4-yl]oxy-N-(2-fluoroethyl)indole-1-carboxamide (PubChem CID 87307976) has the molecular formula C25H24F2N6O5 and a molecular weight of 526.50 g/mol. Its IUPAC name is 5-[6-[[carbamoyl(2-fluoroethyl)amino]carbamoyl]-7-methoxyquinolin-4-yl]oxy-N-(2-fluoroethyl)indole-1-carboxamide.

Molecular Properties

Compound Name5-[6-[[carbamoyl(2-fluoroethyl)amino]carbamoyl]-7-methoxyquinolin-4-yl]oxy-N-(2-fluoroethyl)indole-1-carboxamide
PubChem CID87307976
Molecular FormulaC25H24F2N6O5
Molecular Weight526.50 g/mol
Exact Mass526.18
IUPAC Name5-[6-[[carbamoyl(2-fluoroethyl)amino]carbamoyl]-7-methoxyquinolin-4-yl]oxy-N-(2-fluoroethyl)indole-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(ccn4C(=O)NCCF)c3)c2cc1C(=O)NN(CCF)C(N)=O
InChIInChI=1S/C25H24F2N6O5/c1-37-22-14-19-17(13-18(22)23(34)31-33(11-7-27)24(28)35)21(4-8-29-19)38-16-2-3-20-15(12-16)5-10-32(20)25(36)30-9-6-26/h2-5,8,10,12-14H,6-7,9,11H2,1H3,(H2,28,35)(H,30,36)(H,31,34)
InChIKeyCDULOMJYGQNGQD-UHFFFAOYSA-N
XLogP3.51
TPSA140.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.50
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-4-[1-(3-methylsulfanylpropylcarbamoyl)indol-5-yl]oxyquinoline-6-carboxamide
CID 58931280
4-[1-(4-fluorobutanoyl)indol-5-yl]oxy-N-(2-fluoroethylcarbamoyl)-7-methoxyquinoline-6-carboxamide
CID 58272969
7-methoxy-4-[1-(3-methylsulfanylpropyl)indol-5-yl]oxyquinoline-6-carboxamide
CID 22936996
4-[1-(ethylcarbamoyl)indol-5-yl]oxy-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide
CID 58272814
1-[5-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-2-(4-fluorophenyl)ethanone
CID 58272935
4-(4-amino-3-chlorophenoxy)-N-(2-fluoroethyl)-7-(2-methoxyethoxy)quinoline-6-carboxamide
CID 89363640
4-(1-butanoylindol-5-yl)oxy-N-(ethylcarbamoyl)-7-methylquinoline-6-carboxamide
CID 58272783
5-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyindole-1-carboxylic acid
CID 68668381
4-[3-fluoro-4-(2-fluoroethylcarbamoylamino)phenoxy]-7-(2-methoxyethoxy)quinoline-6-carboxamide
CID 58930854
4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 89132178
4-(4-amino-3-chlorophenoxy)-N-ethyl-7-methoxyquinoline-6-carboxamide
CID 89363479
N-ethyl-5-[6-(methyliminomethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxyindole-1-carboxamide
CID 163712559

Frequently Asked Questions

What is the IUPAC name of 5-[6-[[carbamoyl(2-fluoroethyl)amino]carbamoyl]-7-methoxyquinolin-4-yl]oxy-N-(2-fluoroethyl)indole-1-carboxamide?
The IUPAC name of 5-[6-[[carbamoyl(2-fluoroethyl)amino]carbamoyl]-7-methoxyquinolin-4-yl]oxy-N-(2-fluoroethyl)indole-1-carboxamide (CID 87307976) is 5-[6-[[carbamoyl(2-fluoroethyl)amino]carbamoyl]-7-methoxyquinolin-4-yl]oxy-N-(2-fluoroethyl)indole-1-carboxamide.
What is the SMILES notation for 5-[6-[[carbamoyl(2-fluoroethyl)amino]carbamoyl]-7-methoxyquinolin-4-yl]oxy-N-(2-fluoroethyl)indole-1-carboxamide?
The canonical SMILES for 5-[6-[[carbamoyl(2-fluoroethyl)amino]carbamoyl]-7-methoxyquinolin-4-yl]oxy-N-(2-fluoroethyl)indole-1-carboxamide is COc1cc2nccc(Oc3ccc4c(ccn4C(=O)NCCF)c3)c2cc1C(=O)NN(CCF)C(N)=O.
What is the InChIKey of 5-[6-[[carbamoyl(2-fluoroethyl)amino]carbamoyl]-7-methoxyquinolin-4-yl]oxy-N-(2-fluoroethyl)indole-1-carboxamide?
The InChIKey is CDULOMJYGQNGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N6O5/c1-37-22-14-19-17(13-18(22)23(34)31-33(11-7-27)24(28)35)21(4-8-29-19)38-16-2-3-20-15(12-16)5-10-32(20)25(36)30-9-6-26/h2-5,8,10,12-14H,6-7,9,11H2,1H3,(H2,28,35)(H,30,36)(H,31,34).
What are the key properties of 5-[6-[[carbamoyl(2-fluoroethyl)amino]carbamoyl]-7-methoxyquinolin-4-yl]oxy-N-(2-fluoroethyl)indole-1-carboxamide?
5-[6-[[carbamoyl(2-fluoroethyl)amino]carbamoyl]-7-methoxyquinolin-4-yl]oxy-N-(2-fluoroethyl)indole-1-carboxamide has a molecular weight of 526.50 g/mol, XLogP of 3.51, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[[carbamoyl(2-fluoroethyl)amino]carbamoyl]-7-methoxyquinolin-4-yl]oxy-N-(2-fluoroethyl)indole-1-carboxamide is sourced from PubChem (CID 87307976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).