3-(difluoromethoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide

C20H19F2N3O3 — CID 135962295

IUPAC3-(difluoromethoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C20H19F2N3O3/c1-12(2)25(19(27)13-6-5-7-14(10-13)28-20(21)22)11-17-23-16-9-4-3-8-15(16)18(26)24-17/h3-10,12,20H,11H2,1-2H3,(H,23,24,26)
InChIKeyILAMEPBFSMTVPW-UHFFFAOYSA-N
MW387.39 g/mol
LogP3.58
Rot. Bonds6

About 3-(difluoromethoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide

3-(difluoromethoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide (PubChem CID 135962295) has the molecular formula C20H19F2N3O3 and a molecular weight of 387.39 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
PubChem CID135962295
Molecular FormulaC20H19F2N3O3
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name3-(difluoromethoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C20H19F2N3O3/c1-12(2)25(19(27)13-6-5-7-14(10-13)28-20(21)22)11-17-23-16-9-4-3-8-15(16)18(26)24-17/h3-10,12,20H,11H2,1-2H3,(H,23,24,26)
InChIKeyILAMEPBFSMTVPW-UHFFFAOYSA-N
XLogP3.58
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135722195
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 137296684
4-tert-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135962244
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-6-propan-2-yloxypyridine-3-carboxamide
CID 135973705
3-bromo-N-butan-2-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135687472
4-(methoxymethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 137294556
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylfuran-3-carboxamide
CID 137316111
3-morpholin-4-ylsulfonyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135893000
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 137305204
4-(carbamoylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 137287776
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide
CID 135962185
(2R)-2-(4-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135956667

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide (CID 135962295) is 3-(difluoromethoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide is CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide?
The InChIKey is ILAMEPBFSMTVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3/c1-12(2)25(19(27)13-6-5-7-14(10-13)28-20(21)22)11-17-23-16-9-4-3-8-15(16)18(26)24-17/h3-10,12,20H,11H2,1-2H3,(H,23,24,26).
What are the key properties of 3-(difluoromethoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide?
3-(difluoromethoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide has a molecular weight of 387.39 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 135962295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).