N,N-dimethyl-3-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxybenzamide

C24H18F3N3O3 — CID 51033914

IUPACN,N-dimethyl-3-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxybenzamide
SMILESCN(C)C(=O)c1cccc(Oc2ccc3c(c2)c(=O)ncn3Cc2c(F)cc(F)cc2F)c1
InChIInChI=1S/C24H18F3N3O3/c1-29(2)24(32)14-4-3-5-16(8-14)33-17-6-7-22-18(11-17)23(31)28-13-30(22)12-19-20(26)9-15(25)10-21(19)27/h3-11,13H,12H2,1-2H3
InChIKeyDYHSXOAKVRMNSZ-UHFFFAOYSA-N
MW453.42 g/mol
LogP4.36
Rot. Bonds5

About N,N-dimethyl-3-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxybenzamide

N,N-dimethyl-3-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxybenzamide (PubChem CID 51033914) has the molecular formula C24H18F3N3O3 and a molecular weight of 453.42 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxybenzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxybenzamide
PubChem CID51033914
Molecular FormulaC24H18F3N3O3
Molecular Weight453.42 g/mol
Exact Mass453.13
IUPAC NameN,N-dimethyl-3-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxybenzamide
SMILESCN(C)C(=O)c1cccc(Oc2ccc3c(c2)c(=O)ncn3Cc2c(F)cc(F)cc2F)c1
InChIInChI=1S/C24H18F3N3O3/c1-29(2)24(32)14-4-3-5-16(8-14)33-17-6-7-22-18(11-17)23(31)28-13-30(22)12-19-20(26)9-15(25)10-21(19)27/h3-11,13H,12H2,1-2H3
InChIKeyDYHSXOAKVRMNSZ-UHFFFAOYSA-N
XLogP4.36
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.42
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxybenzamide?
The IUPAC name of N,N-dimethyl-3-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxybenzamide (CID 51033914) is N,N-dimethyl-3-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxybenzamide.
What is the SMILES notation for N,N-dimethyl-3-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxybenzamide?
The canonical SMILES for N,N-dimethyl-3-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxybenzamide is CN(C)C(=O)c1cccc(Oc2ccc3c(c2)c(=O)ncn3Cc2c(F)cc(F)cc2F)c1.
What is the InChIKey of N,N-dimethyl-3-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxybenzamide?
The InChIKey is DYHSXOAKVRMNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O3/c1-29(2)24(32)14-4-3-5-16(8-14)33-17-6-7-22-18(11-17)23(31)28-13-30(22)12-19-20(26)9-15(25)10-21(19)27/h3-11,13H,12H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxybenzamide?
N,N-dimethyl-3-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxybenzamide has a molecular weight of 453.42 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxybenzamide is sourced from PubChem (CID 51033914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).