N-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide

C32H32FN5O5 — CID 24967008

IUPACN-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
SMILESCOc1cc2c(Oc3ccc(NC(=O)N4CCN(c5ccccc5)C4=O)cc3F)ccnc2cc1OCC1CCNCC1
InChIInChI=1S/C32H32FN5O5/c1-41-29-18-24-26(19-30(29)42-20-21-9-12-34-13-10-21)35-14-11-27(24)43-28-8-7-22(17-25(28)33)36-31(39)38-16-15-37(32(38)40)23-5-3-2-4-6-23/h2-8,11,14,17-19,21,34H,9-10,12-13,15-16,20H2,1H3,(H,36,39)
InChIKeyBBKJRGBHVYSTNV-UHFFFAOYSA-N
MW585.64 g/mol
LogP6.03
Rot. Bonds8

About N-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide

N-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide (PubChem CID 24967008) has the molecular formula C32H32FN5O5 and a molecular weight of 585.64 g/mol. Its IUPAC name is N-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
PubChem CID24967008
Molecular FormulaC32H32FN5O5
Molecular Weight585.64 g/mol
Exact Mass585.24
IUPAC NameN-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
SMILESCOc1cc2c(Oc3ccc(NC(=O)N4CCN(c5ccccc5)C4=O)cc3F)ccnc2cc1OCC1CCNCC1
InChIInChI=1S/C32H32FN5O5/c1-41-29-18-24-26(19-30(29)42-20-21-9-12-34-13-10-21)35-14-11-27(24)43-28-8-7-22(17-25(28)33)36-31(39)38-16-15-37(32(38)40)23-5-3-2-4-6-23/h2-8,11,14,17-19,21,34H,9-10,12-13,15-16,20H2,1H3,(H,36,39)
InChIKeyBBKJRGBHVYSTNV-UHFFFAOYSA-N
XLogP6.03
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.64
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide
CID 45483392
N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-hexyloxamide
CID 143025998
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 45483444
3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyaniline
CID 67519530
N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-[[4-(fluoromethyl)phenyl]methyl]oxamide
CID 118612189
N-[2-(3,4-dimethylphenyl)ethyl]-N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]oxamide
CID 58830562
N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-[2-(3-methylphenyl)ethyl]oxamide
CID 58830571
N-(2-cyclohexa-1,5-dien-1-ylethyl)-N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]oxamide
CID 167073128
4-(2-fluoro-4-nitrosophenoxy)-6-methoxy-7-(piperidin-4-ylmethoxy)quinoline
CID 89303527
1-N'-[4-[7-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 71140549
N-ethyl-N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N'-methyloxamide
CID 67458270
N-[3-fluoro-4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]methyl]phenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 71122816

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The IUPAC name of N-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide (CID 24967008) is N-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide is COc1cc2c(Oc3ccc(NC(=O)N4CCN(c5ccccc5)C4=O)cc3F)ccnc2cc1OCC1CCNCC1.
What is the InChIKey of N-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The InChIKey is BBKJRGBHVYSTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN5O5/c1-41-29-18-24-26(19-30(29)42-20-21-9-12-34-13-10-21)35-14-11-27(24)43-28-8-7-22(17-25(28)33)36-31(39)38-16-15-37(32(38)40)23-5-3-2-4-6-23/h2-8,11,14,17-19,21,34H,9-10,12-13,15-16,20H2,1H3,(H,36,39).
What are the key properties of N-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
N-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide has a molecular weight of 585.64 g/mol, XLogP of 6.03, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide is sourced from PubChem (CID 24967008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).