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

C19H18FN3O2 — CID 135722195

IUPAC3-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(F)c1
InChIInChI=1S/C19H18FN3O2/c1-12(2)23(19(25)13-6-5-7-14(20)10-13)11-17-21-16-9-4-3-8-15(16)18(24)22-17/h3-10,12H,11H2,1-2H3,(H,21,22,24)
InChIKeyADVQYSYNFTXCAI-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.11
Rot. Bonds4

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

3-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide (PubChem CID 135722195) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 3-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
PubChem CID135722195
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name3-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(F)c1
InChIInChI=1S/C19H18FN3O2/c1-12(2)23(19(25)13-6-5-7-14(20)10-13)11-17-21-16-9-4-3-8-15(16)18(24)22-17/h3-10,12H,11H2,1-2H3,(H,21,22,24)
InChIKeyADVQYSYNFTXCAI-UHFFFAOYSA-N
XLogP3.11
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135962295
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
3-bromo-N-butan-2-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135687472
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
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-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-yl-6-propan-2-yloxypyridine-3-carboxamide
CID 135973705
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide
CID 135962185
3-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135722369

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide (CID 135722195) is 3-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide is CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide?
The InChIKey is ADVQYSYNFTXCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-12(2)23(19(25)13-6-5-7-14(20)10-13)11-17-21-16-9-4-3-8-15(16)18(24)22-17/h3-10,12H,11H2,1-2H3,(H,21,22,24).
What are the key properties of 3-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide?
3-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide has a molecular weight of 339.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 135722195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).