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

C23H18FN3O4 — CID 23905907

IUPACN-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nn2c(-c3ccccc3F)nc3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C23H18FN3O4/c1-30-14-11-12-17(20(13-14)31-2)22(28)26-27-21(15-7-3-5-9-18(15)24)25-19-10-6-4-8-16(19)23(27)29/h3-13H,1-2H3,(H,26,28)
InChIKeyNVVXFYUACKXXSE-UHFFFAOYSA-N
MW419.41 g/mol
LogP3.60
Rot. Bonds5

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

N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide (PubChem CID 23905907) 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]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide
PubChem CID23905907
Molecular FormulaC23H18FN3O4
Molecular Weight419.41 g/mol
Exact Mass419.13
IUPAC NameN-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nn2c(-c3ccccc3F)nc3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C23H18FN3O4/c1-30-14-11-12-17(20(13-14)31-2)22(28)26-27-21(15-7-3-5-9-18(15)24)25-19-10-6-4-8-16(19)23(27)29/h3-13H,1-2H3,(H,26,28)
InChIKeyNVVXFYUACKXXSE-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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Related Compounds

N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide
CID 23768429
2-chloro-N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-4-nitrobenzamide
CID 23854977
N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide
CID 23847600
2-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23994102
2-bromo-5-methoxy-N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 6737712
3-[(4-bromophenyl)methylamino]-2-(2-fluorophenyl)-6-methoxyquinazolin-4-one
CID 24988336
N-[7-chloro-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide
CID 1457820
4-methoxy-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide
CID 23797785
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide
CID 121148552
2-chloro-N-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]pyridine-3-carboxamide
CID 6737770
4-tert-butyl-N-[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23851582
3-anilino-2-(2-methoxyphenyl)quinazolin-4-one
CID 134956314

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide (CID 23905907) is N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nn2c(-c3ccccc3F)nc3ccccc3c2=O)c(OC)c1.
What is the InChIKey of N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide?
The InChIKey is NVVXFYUACKXXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O4/c1-30-14-11-12-17(20(13-14)31-2)22(28)26-27-21(15-7-3-5-9-18(15)24)25-19-10-6-4-8-16(19)23(27)29/h3-13H,1-2H3,(H,26,28).
What are the key properties of N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide?
N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,4-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]-2,4-dimethoxybenzamide is sourced from PubChem (CID 23905907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).