N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide

C23H18FN3O4 — CID 23768429

IUPACN-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nn2c(-c3ccccc3F)nc3ccccc3c2=O)c1OC
InChIInChI=1S/C23H18FN3O4/c1-30-19-13-7-10-16(20(19)31-2)22(28)26-27-21(14-8-3-5-11-17(14)24)25-18-12-6-4-9-15(18)23(27)29/h3-13H,1-2H3,(H,26,28)
InChIKeyDSSFGOJILREUSD-UHFFFAOYSA-N
MW419.41 g/mol
LogP3.60
Rot. Bonds5

About N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide

N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide (PubChem CID 23768429) has the molecular formula C23H18FN3O4 and a molecular weight of 419.41 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide
PubChem CID23768429
Molecular FormulaC23H18FN3O4
Molecular Weight419.41 g/mol
Exact Mass419.13
IUPAC NameN-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nn2c(-c3ccccc3F)nc3ccccc3c2=O)c1OC
InChIInChI=1S/C23H18FN3O4/c1-30-19-13-7-10-16(20(19)31-2)22(28)26-27-21(14-8-3-5-11-17(14)24)25-18-12-6-4-9-15(18)23(27)29/h3-13H,1-2H3,(H,26,28)
InChIKeyDSSFGOJILREUSD-UHFFFAOYSA-N
XLogP3.60
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide (CID 23768429) is N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)Nn2c(-c3ccccc3F)nc3ccccc3c2=O)c1OC.
What is the InChIKey of N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide?
The InChIKey is DSSFGOJILREUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O4/c1-30-19-13-7-10-16(20(19)31-2)22(28)26-27-21(14-8-3-5-11-17(14)24)25-18-12-6-4-9-15(18)23(27)29/h3-13H,1-2H3,(H,26,28).
What are the key properties of N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide?
N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide has a molecular weight of 419.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 23768429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).