3-(2,6-difluorophenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide

C23H19F2N3O3 — CID 4319321

IUPAC3-(2,6-difluorophenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide
SMILESCc1ccc(CNC(=O)C2(O)c3ccccc3NC(=O)N2c2c(F)cccc2F)cc1
InChIInChI=1S/C23H19F2N3O3/c1-14-9-11-15(12-10-14)13-26-21(29)23(31)16-5-2-3-8-19(16)27-22(30)28(23)20-17(24)6-4-7-18(20)25/h2-12,31H,13H2,1H3,(H,26,29)(H,27,30)
InChIKeyQDCPVSJNBLUYJR-UHFFFAOYSA-N
MW423.42 g/mol
LogP3.79
Rot. Bonds4

About 3-(2,6-difluorophenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide

3-(2,6-difluorophenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide (PubChem CID 4319321) has the molecular formula C23H19F2N3O3 and a molecular weight of 423.42 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide
PubChem CID4319321
Molecular FormulaC23H19F2N3O3
Molecular Weight423.42 g/mol
Exact Mass423.14
IUPAC Name3-(2,6-difluorophenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide
SMILESCc1ccc(CNC(=O)C2(O)c3ccccc3NC(=O)N2c2c(F)cccc2F)cc1
InChIInChI=1S/C23H19F2N3O3/c1-14-9-11-15(12-10-14)13-26-21(29)23(31)16-5-2-3-8-19(16)27-22(30)28(23)20-17(24)6-4-7-18(20)25/h2-12,31H,13H2,1H3,(H,26,29)(H,27,30)
InChIKeyQDCPVSJNBLUYJR-UHFFFAOYSA-N
XLogP3.79
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylphenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide
CID 4319482
1-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 110438283
2,6-difluoro-N-[(4-methylphenyl)methyl]benzamide
CID 8781288
3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide
CID 131841981
2-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997159
1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 51290890
2-(2,6-difluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 108997244
3-(4-ethylphenyl)-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-4-carboxamide
CID 3549664
4-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 27517573
N-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42884361
4-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 9455401
N-[(2-fluorophenyl)methyl]-2-[(4-methylphenyl)methylamino]acetamide
CID 108997023

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide?
The IUPAC name of 3-(2,6-difluorophenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide (CID 4319321) is 3-(2,6-difluorophenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide.
What is the SMILES notation for 3-(2,6-difluorophenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide?
The canonical SMILES for 3-(2,6-difluorophenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide is Cc1ccc(CNC(=O)C2(O)c3ccccc3NC(=O)N2c2c(F)cccc2F)cc1.
What is the InChIKey of 3-(2,6-difluorophenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide?
The InChIKey is QDCPVSJNBLUYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O3/c1-14-9-11-15(12-10-14)13-26-21(29)23(31)16-5-2-3-8-19(16)27-22(30)28(23)20-17(24)6-4-7-18(20)25/h2-12,31H,13H2,1H3,(H,26,29)(H,27,30).
What are the key properties of 3-(2,6-difluorophenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide?
3-(2,6-difluorophenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide has a molecular weight of 423.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide is sourced from PubChem (CID 4319321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).