3-fluoro-4-hydroxy-N-[3-[2-(2-methoxyphenyl)ethyl]-4-oxoquinazolin-5-yl]benzamide

C24H20FN3O4 — CID 162685775

IUPAC3-fluoro-4-hydroxy-N-[3-[2-(2-methoxyphenyl)ethyl]-4-oxoquinazolin-5-yl]benzamide
SMILESCOc1ccccc1CCn1cnc2cccc(NC(=O)c3ccc(O)c(F)c3)c2c1=O
InChIInChI=1S/C24H20FN3O4/c1-32-21-8-3-2-5-15(21)11-12-28-14-26-18-6-4-7-19(22(18)24(28)31)27-23(30)16-9-10-20(29)17(25)13-16/h2-10,13-14,29H,11-12H2,1H3,(H,27,30)
InChIKeyKHWWEINPLFVGKJ-UHFFFAOYSA-N
MW433.44 g/mol
LogP3.74
Rot. Bonds6

About 3-fluoro-4-hydroxy-N-[3-[2-(2-methoxyphenyl)ethyl]-4-oxoquinazolin-5-yl]benzamide

3-fluoro-4-hydroxy-N-[3-[2-(2-methoxyphenyl)ethyl]-4-oxoquinazolin-5-yl]benzamide (PubChem CID 162685775) has the molecular formula C24H20FN3O4 and a molecular weight of 433.44 g/mol. Its IUPAC name is 3-fluoro-4-hydroxy-N-[3-[2-(2-methoxyphenyl)ethyl]-4-oxoquinazolin-5-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-hydroxy-N-[3-[2-(2-methoxyphenyl)ethyl]-4-oxoquinazolin-5-yl]benzamide
PubChem CID162685775
Molecular FormulaC24H20FN3O4
Molecular Weight433.44 g/mol
Exact Mass433.14
IUPAC Name3-fluoro-4-hydroxy-N-[3-[2-(2-methoxyphenyl)ethyl]-4-oxoquinazolin-5-yl]benzamide
SMILESCOc1ccccc1CCn1cnc2cccc(NC(=O)c3ccc(O)c(F)c3)c2c1=O
InChIInChI=1S/C24H20FN3O4/c1-32-21-8-3-2-5-15(21)11-12-28-14-26-18-6-4-7-19(22(18)24(28)31)27-23(30)16-9-10-20(29)17(25)13-16/h2-10,13-14,29H,11-12H2,1H3,(H,27,30)
InChIKeyKHWWEINPLFVGKJ-UHFFFAOYSA-N
XLogP3.74
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[3-[2-(2-methoxyphenyl)ethyl]-4-oxoquinazolin-5-yl]carbamate
CID 162685776
3,5-dichloro-4-hydroxy-N-[3-[(2-methoxyphenyl)methyl]-6-methyl-4-oxoquinazolin-5-yl]benzamide
CID 170204529
N-[2-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide
CID 118867964
N-(2-ethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79600914
N-(2,6-difluorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260319
N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39341853
N-[2-(2-methoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 34032078
3-hydroxy-4-methoxy-N-(2-methoxyphenyl)benzamide
CID 79600198
N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260301
N-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide
CID 64781635
N-(2-fluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157086
N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3,4-dimethoxybenzamide
CID 42391287

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-hydroxy-N-[3-[2-(2-methoxyphenyl)ethyl]-4-oxoquinazolin-5-yl]benzamide?
The IUPAC name of 3-fluoro-4-hydroxy-N-[3-[2-(2-methoxyphenyl)ethyl]-4-oxoquinazolin-5-yl]benzamide (CID 162685775) is 3-fluoro-4-hydroxy-N-[3-[2-(2-methoxyphenyl)ethyl]-4-oxoquinazolin-5-yl]benzamide.
What is the SMILES notation for 3-fluoro-4-hydroxy-N-[3-[2-(2-methoxyphenyl)ethyl]-4-oxoquinazolin-5-yl]benzamide?
The canonical SMILES for 3-fluoro-4-hydroxy-N-[3-[2-(2-methoxyphenyl)ethyl]-4-oxoquinazolin-5-yl]benzamide is COc1ccccc1CCn1cnc2cccc(NC(=O)c3ccc(O)c(F)c3)c2c1=O.
What is the InChIKey of 3-fluoro-4-hydroxy-N-[3-[2-(2-methoxyphenyl)ethyl]-4-oxoquinazolin-5-yl]benzamide?
The InChIKey is KHWWEINPLFVGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4/c1-32-21-8-3-2-5-15(21)11-12-28-14-26-18-6-4-7-19(22(18)24(28)31)27-23(30)16-9-10-20(29)17(25)13-16/h2-10,13-14,29H,11-12H2,1H3,(H,27,30).
What are the key properties of 3-fluoro-4-hydroxy-N-[3-[2-(2-methoxyphenyl)ethyl]-4-oxoquinazolin-5-yl]benzamide?
3-fluoro-4-hydroxy-N-[3-[2-(2-methoxyphenyl)ethyl]-4-oxoquinazolin-5-yl]benzamide has a molecular weight of 433.44 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-hydroxy-N-[3-[2-(2-methoxyphenyl)ethyl]-4-oxoquinazolin-5-yl]benzamide is sourced from PubChem (CID 162685775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).