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

C26H23FN6O4 — CID 24966287

IUPACN-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
SMILESCOc1cc2ncnc(Nc3ccc(NC(=O)N4CCN(c5ccccc5)C4=O)cc3F)c2cc1OC
InChIInChI=1S/C26H23FN6O4/c1-36-22-13-18-21(14-23(22)37-2)28-15-29-24(18)31-20-9-8-16(12-19(20)27)30-25(34)33-11-10-32(26(33)35)17-6-4-3-5-7-17/h3-9,12-15H,10-11H2,1-2H3,(H,30,34)(H,28,29,31)
InChIKeyBEYUGPLUWSNIHT-UHFFFAOYSA-N
MW502.51 g/mol
LogP5.00
Rot. Bonds6

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

N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide (PubChem CID 24966287) has the molecular formula C26H23FN6O4 and a molecular weight of 502.51 g/mol. Its IUPAC name is N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
PubChem CID24966287
Molecular FormulaC26H23FN6O4
Molecular Weight502.51 g/mol
Exact Mass502.18
IUPAC NameN-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
SMILESCOc1cc2ncnc(Nc3ccc(NC(=O)N4CCN(c5ccccc5)C4=O)cc3F)c2cc1OC
InChIInChI=1S/C26H23FN6O4/c1-36-22-13-18-21(14-23(22)37-2)28-15-29-24(18)31-20-9-8-16(12-19(20)27)30-25(34)33-11-10-32(26(33)35)17-6-4-3-5-7-17/h3-9,12-15H,10-11H2,1-2H3,(H,30,34)(H,28,29,31)
InChIKeyBEYUGPLUWSNIHT-UHFFFAOYSA-N
XLogP5.00
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.51
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The IUPAC name of N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide (CID 24966287) is N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide.
What is the SMILES notation for N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The canonical SMILES for N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide is COc1cc2ncnc(Nc3ccc(NC(=O)N4CCN(c5ccccc5)C4=O)cc3F)c2cc1OC.
What is the InChIKey of N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The InChIKey is BEYUGPLUWSNIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O4/c1-36-22-13-18-21(14-23(22)37-2)28-15-29-24(18)31-20-9-8-16(12-19(20)27)30-25(34)33-11-10-32(26(33)35)17-6-4-3-5-7-17/h3-9,12-15H,10-11H2,1-2H3,(H,30,34)(H,28,29,31).
What are the key properties of N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide has a molecular weight of 502.51 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide is sourced from PubChem (CID 24966287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).