N-[4-[(6,7-dimethoxyquinolin-4-yl)amino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide

C27H24FN5O4 — CID 45483404

IUPACN-[4-[(6,7-dimethoxyquinolin-4-yl)amino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
SMILESCOc1cc2nccc(Nc3ccc(NC(=O)N4CCN(c5ccccc5)C4=O)cc3F)c2cc1OC
InChIInChI=1S/C27H24FN5O4/c1-36-24-15-19-21(10-11-29-23(19)16-25(24)37-2)31-22-9-8-17(14-20(22)28)30-26(34)33-13-12-32(27(33)35)18-6-4-3-5-7-18/h3-11,14-16H,12-13H2,1-2H3,(H,29,31)(H,30,34)
InChIKeyCUMBFVXWDJDNHR-UHFFFAOYSA-N
MW501.52 g/mol
LogP5.61
Rot. Bonds6

About N-[4-[(6,7-dimethoxyquinolin-4-yl)amino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide

N-[4-[(6,7-dimethoxyquinolin-4-yl)amino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide (PubChem CID 45483404) has the molecular formula C27H24FN5O4 and a molecular weight of 501.52 g/mol. Its IUPAC name is N-[4-[(6,7-dimethoxyquinolin-4-yl)amino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(6,7-dimethoxyquinolin-4-yl)amino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
PubChem CID45483404
Molecular FormulaC27H24FN5O4
Molecular Weight501.52 g/mol
Exact Mass501.18
IUPAC NameN-[4-[(6,7-dimethoxyquinolin-4-yl)amino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
SMILESCOc1cc2nccc(Nc3ccc(NC(=O)N4CCN(c5ccccc5)C4=O)cc3F)c2cc1OC
InChIInChI=1S/C27H24FN5O4/c1-36-24-15-19-21(10-11-29-23(19)16-25(24)37-2)31-22-9-8-17(14-20(22)28)30-26(34)33-13-12-32(27(33)35)18-6-4-3-5-7-18/h3-11,14-16H,12-13H2,1-2H3,(H,29,31)(H,30,34)
InChIKeyCUMBFVXWDJDNHR-UHFFFAOYSA-N
XLogP5.61
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.52
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(6,7-dimethoxyquinolin-4-yl)amino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The IUPAC name of N-[4-[(6,7-dimethoxyquinolin-4-yl)amino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide (CID 45483404) is N-[4-[(6,7-dimethoxyquinolin-4-yl)amino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide.
What is the SMILES notation for N-[4-[(6,7-dimethoxyquinolin-4-yl)amino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The canonical SMILES for N-[4-[(6,7-dimethoxyquinolin-4-yl)amino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide is COc1cc2nccc(Nc3ccc(NC(=O)N4CCN(c5ccccc5)C4=O)cc3F)c2cc1OC.
What is the InChIKey of N-[4-[(6,7-dimethoxyquinolin-4-yl)amino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The InChIKey is CUMBFVXWDJDNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O4/c1-36-24-15-19-21(10-11-29-23(19)16-25(24)37-2)31-22-9-8-17(14-20(22)28)30-26(34)33-13-12-32(27(33)35)18-6-4-3-5-7-18/h3-11,14-16H,12-13H2,1-2H3,(H,29,31)(H,30,34).
What are the key properties of N-[4-[(6,7-dimethoxyquinolin-4-yl)amino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
N-[4-[(6,7-dimethoxyquinolin-4-yl)amino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide has a molecular weight of 501.52 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6,7-dimethoxyquinolin-4-yl)amino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide is sourced from PubChem (CID 45483404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).