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

C28H26FN5O4 — CID 45483425

IUPACN-[4-[(6,7-dimethoxyquinolin-4-yl)-methylamino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
SMILESCOc1cc2nccc(N(C)c3ccc(NC(=O)N4CCN(c5ccccc5)C4=O)cc3F)c2cc1OC
InChIInChI=1S/C28H26FN5O4/c1-32(23-11-12-30-22-17-26(38-3)25(37-2)16-20(22)23)24-10-9-18(15-21(24)29)31-27(35)34-14-13-33(28(34)36)19-7-5-4-6-8-19/h4-12,15-17H,13-14H2,1-3H3,(H,31,35)
InChIKeyPIBYAUKKXDSVPW-UHFFFAOYSA-N
MW515.55 g/mol
LogP5.63
Rot. Bonds6

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

N-[4-[(6,7-dimethoxyquinolin-4-yl)-methylamino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide (PubChem CID 45483425) has the molecular formula C28H26FN5O4 and a molecular weight of 515.55 g/mol. Its IUPAC name is N-[4-[(6,7-dimethoxyquinolin-4-yl)-methylamino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(6,7-dimethoxyquinolin-4-yl)-methylamino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
PubChem CID45483425
Molecular FormulaC28H26FN5O4
Molecular Weight515.55 g/mol
Exact Mass515.20
IUPAC NameN-[4-[(6,7-dimethoxyquinolin-4-yl)-methylamino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
SMILESCOc1cc2nccc(N(C)c3ccc(NC(=O)N4CCN(c5ccccc5)C4=O)cc3F)c2cc1OC
InChIInChI=1S/C28H26FN5O4/c1-32(23-11-12-30-22-17-26(38-3)25(37-2)16-20(22)23)24-10-9-18(15-21(24)29)31-27(35)34-14-13-33(28(34)36)19-7-5-4-6-8-19/h4-12,15-17H,13-14H2,1-3H3,(H,31,35)
InChIKeyPIBYAUKKXDSVPW-UHFFFAOYSA-N
XLogP5.63
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.55
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(6,7-dimethoxyquinolin-4-yl)-methylamino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The IUPAC name of N-[4-[(6,7-dimethoxyquinolin-4-yl)-methylamino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide (CID 45483425) is N-[4-[(6,7-dimethoxyquinolin-4-yl)-methylamino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide.
What is the SMILES notation for N-[4-[(6,7-dimethoxyquinolin-4-yl)-methylamino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The canonical SMILES for N-[4-[(6,7-dimethoxyquinolin-4-yl)-methylamino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide is COc1cc2nccc(N(C)c3ccc(NC(=O)N4CCN(c5ccccc5)C4=O)cc3F)c2cc1OC.
What is the InChIKey of N-[4-[(6,7-dimethoxyquinolin-4-yl)-methylamino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The InChIKey is PIBYAUKKXDSVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O4/c1-32(23-11-12-30-22-17-26(38-3)25(37-2)16-20(22)23)24-10-9-18(15-21(24)29)31-27(35)34-14-13-33(28(34)36)19-7-5-4-6-8-19/h4-12,15-17H,13-14H2,1-3H3,(H,31,35).
What are the key properties of N-[4-[(6,7-dimethoxyquinolin-4-yl)-methylamino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
N-[4-[(6,7-dimethoxyquinolin-4-yl)-methylamino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide has a molecular weight of 515.55 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6,7-dimethoxyquinolin-4-yl)-methylamino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide is sourced from PubChem (CID 45483425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).