N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide

C31H31FN4O7 — CID 24966649

IUPACN-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
SMILESCOCCOc1cc2nccc(Oc3ccc(NC(=O)N4CCN(c5ccccc5)C4=O)cc3F)c2cc1OCCOC
InChIInChI=1S/C31H31FN4O7/c1-39-14-16-41-28-19-23-25(20-29(28)42-17-15-40-2)33-11-10-26(23)43-27-9-8-21(18-24(27)32)34-30(37)36-13-12-35(31(36)38)22-6-4-3-5-7-22/h3-11,18-20H,12-17H2,1-2H3,(H,34,37)
InChIKeyVCHWZJKWEQBXSH-UHFFFAOYSA-N
MW590.61 g/mol
LogP5.69
Rot. Bonds12

About N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide

N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide (PubChem CID 24966649) has the molecular formula C31H31FN4O7 and a molecular weight of 590.61 g/mol. Its IUPAC name is N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
PubChem CID24966649
Molecular FormulaC31H31FN4O7
Molecular Weight590.61 g/mol
Exact Mass590.22
IUPAC NameN-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
SMILESCOCCOc1cc2nccc(Oc3ccc(NC(=O)N4CCN(c5ccccc5)C4=O)cc3F)c2cc1OCCOC
InChIInChI=1S/C31H31FN4O7/c1-39-14-16-41-28-19-23-25(20-29(28)42-17-15-40-2)33-11-10-26(23)43-27-9-8-21(18-24(27)32)34-30(37)36-13-12-35(31(36)38)22-6-4-3-5-7-22/h3-11,18-20H,12-17H2,1-2H3,(H,34,37)
InChIKeyVCHWZJKWEQBXSH-UHFFFAOYSA-N
XLogP5.69
TPSA111.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.61
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Ki-11502
CID 11554659
N-{4-[(6,7-Dimethoxyquinolin-4-Yl)oxy]-3-Fluorophenyl}-1,5-Dimethyl-3-Oxo-2-Phenyl-2,3-Dihydro-1h-Pyrazole-4-Carboxamide
CID 56604907
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CID 10424517
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Frequently Asked Questions

What is the IUPAC name of N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The IUPAC name of N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide (CID 24966649) is N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide.
What is the SMILES notation for N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The canonical SMILES for N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide is COCCOc1cc2nccc(Oc3ccc(NC(=O)N4CCN(c5ccccc5)C4=O)cc3F)c2cc1OCCOC.
What is the InChIKey of N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The InChIKey is VCHWZJKWEQBXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31FN4O7/c1-39-14-16-41-28-19-23-25(20-29(28)42-17-15-40-2)33-11-10-26(23)43-27-9-8-21(18-24(27)32)34-30(37)36-13-12-35(31(36)38)22-6-4-3-5-7-22/h3-11,18-20H,12-17H2,1-2H3,(H,34,37).
What are the key properties of N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide has a molecular weight of 590.61 g/mol, XLogP of 5.69, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide is sourced from PubChem (CID 24966649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).