N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide

C24H20FN3O3 — CID 135429027

IUPACN-[(4-fluorophenyl)methyl]-4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccc(F)cc2)Cc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C24H20FN3O3/c1-31-19-12-8-17(9-13-19)24(30)28(14-16-6-10-18(25)11-7-16)15-22-26-21-5-3-2-4-20(21)23(29)27-22/h2-13H,14-15H2,1H3,(H,26,27,29)
InChIKeySRPPPYOIOBVSHK-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.91
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide

N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide (PubChem CID 135429027) has the molecular formula C24H20FN3O3 and a molecular weight of 417.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
PubChem CID135429027
Molecular FormulaC24H20FN3O3
Molecular Weight417.44 g/mol
Exact Mass417.15
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccc(F)cc2)Cc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C24H20FN3O3/c1-31-19-12-8-17(9-13-19)24(30)28(14-16-6-10-18(25)11-7-16)15-22-26-21-5-3-2-4-20(21)23(29)27-22/h2-13H,14-15H2,1H3,(H,26,27,29)
InChIKeySRPPPYOIOBVSHK-UHFFFAOYSA-N
XLogP3.91
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide (CID 135429027) is N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide is COc1ccc(C(=O)N(Cc2ccc(F)cc2)Cc2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The InChIKey is SRPPPYOIOBVSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3/c1-31-19-12-8-17(9-13-19)24(30)28(14-16-6-10-18(25)11-7-16)15-22-26-21-5-3-2-4-20(21)23(29)27-22/h2-13H,14-15H2,1H3,(H,26,27,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide has a molecular weight of 417.44 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide is sourced from PubChem (CID 135429027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).