3-[(4-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-6-carboxamide

C24H20FN3O3 — CID 10237938

IUPAC3-[(4-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-6-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3ncn(Cc4ccc(F)cc4)c(=O)c3c2)c1
InChIInChI=1S/C24H20FN3O3/c1-31-20-4-2-3-17(11-20)13-26-23(29)18-7-10-22-21(12-18)24(30)28(15-27-22)14-16-5-8-19(25)9-6-16/h2-12,15H,13-14H2,1H3,(H,26,29)
InChIKeyZQVGPQMOIOLUQX-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.52
Rot. Bonds6

About 3-[(4-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-6-carboxamide

3-[(4-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-6-carboxamide (PubChem CID 10237938) has the molecular formula C24H20FN3O3 and a molecular weight of 417.44 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-6-carboxamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-6-carboxamide
PubChem CID10237938
Molecular FormulaC24H20FN3O3
Molecular Weight417.44 g/mol
Exact Mass417.15
IUPAC Name3-[(4-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-6-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3ncn(Cc4ccc(F)cc4)c(=O)c3c2)c1
InChIInChI=1S/C24H20FN3O3/c1-31-20-4-2-3-17(11-20)13-26-23(29)18-7-10-22-21(12-18)24(30)28(15-27-22)14-16-5-8-19(25)9-6-16/h2-12,15H,13-14H2,1H3,(H,26,29)
InChIKeyZQVGPQMOIOLUQX-UHFFFAOYSA-N
XLogP3.52
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-6-carboxamide?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-6-carboxamide (CID 10237938) is 3-[(4-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-6-carboxamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-6-carboxamide?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-6-carboxamide is COc1cccc(CNC(=O)c2ccc3ncn(Cc4ccc(F)cc4)c(=O)c3c2)c1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-6-carboxamide?
The InChIKey is ZQVGPQMOIOLUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3/c1-31-20-4-2-3-17(11-20)13-26-23(29)18-7-10-22-21(12-18)24(30)28(15-27-22)14-16-5-8-19(25)9-6-16/h2-12,15H,13-14H2,1H3,(H,26,29).
What are the key properties of 3-[(4-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-6-carboxamide?
3-[(4-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-6-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-6-carboxamide is sourced from PubChem (CID 10237938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).