2-[4-[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(oxolan-2-ylmethyl)acetamide

C28H26FN3O4 — CID 12005190

IUPAC2-[4-[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3F)c2=O)cc1)NCC1CCCO1
InChIInChI=1S/C28H26FN3O4/c29-24-9-3-1-6-20(24)18-31-25-10-4-2-8-23(25)27(34)32(28(31)35)21-13-11-19(12-14-21)16-26(33)30-17-22-7-5-15-36-22/h1-4,6,8-14,22H,5,7,15-18H2,(H,30,33)
InChIKeyIRZFSMRPTZEUFT-UHFFFAOYSA-N
MW487.53 g/mol
LogP3.18
Rot. Bonds7

About 2-[4-[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(oxolan-2-ylmethyl)acetamide

2-[4-[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 12005190) has the molecular formula C28H26FN3O4 and a molecular weight of 487.53 g/mol. Its IUPAC name is 2-[4-[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID12005190
Molecular FormulaC28H26FN3O4
Molecular Weight487.53 g/mol
Exact Mass487.19
IUPAC Name2-[4-[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3F)c2=O)cc1)NCC1CCCO1
InChIInChI=1S/C28H26FN3O4/c29-24-9-3-1-6-20(24)18-31-25-10-4-2-8-23(25)27(34)32(28(31)35)21-13-11-19(12-14-21)16-26(33)30-17-22-7-5-15-36-22/h1-4,6,8-14,22H,5,7,15-18H2,(H,30,33)
InChIKeyIRZFSMRPTZEUFT-UHFFFAOYSA-N
XLogP3.18
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(oxolan-2-ylmethyl)acetamide (CID 12005190) is 2-[4-[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(oxolan-2-ylmethyl)acetamide is O=C(Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3F)c2=O)cc1)NCC1CCCO1.
What is the InChIKey of 2-[4-[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is IRZFSMRPTZEUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O4/c29-24-9-3-1-6-20(24)18-31-25-10-4-2-8-23(25)27(34)32(28(31)35)21-13-11-19(12-14-21)16-26(33)30-17-22-7-5-15-36-22/h1-4,6,8-14,22H,5,7,15-18H2,(H,30,33).
What are the key properties of 2-[4-[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(oxolan-2-ylmethyl)acetamide?
2-[4-[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 487.53 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 12005190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).