N-butyl-2,4-difluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide

C20H19F2N3O2 — CID 135569960

IUPACN-butyl-2,4-difluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
SMILESCCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C20H19F2N3O2/c1-2-3-10-25(20(27)14-9-8-13(21)11-16(14)22)12-18-23-17-7-5-4-6-15(17)19(26)24-18/h4-9,11H,2-3,10,12H2,1H3,(H,23,24,26)
InChIKeyQACFYPHSKKJJSM-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.64
Rot. Bonds6

About N-butyl-2,4-difluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide

N-butyl-2,4-difluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide (PubChem CID 135569960) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-butyl-2,4-difluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-butyl-2,4-difluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
PubChem CID135569960
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC NameN-butyl-2,4-difluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
SMILESCCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C20H19F2N3O2/c1-2-3-10-25(20(27)14-9-8-13(21)11-16(14)22)12-18-23-17-7-5-4-6-15(17)19(26)24-18/h4-9,11H,2-3,10,12H2,1H3,(H,23,24,26)
InChIKeyQACFYPHSKKJJSM-UHFFFAOYSA-N
XLogP3.64
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
CID 135549132
N-benzyl-2-bromo-4-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135938102
N-benzyl-2-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135478220
5-chloro-2-fluoro-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135842963
2-(4-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide
CID 135768682
N-[(4-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-pentylpropanamide
CID 137282635
1-butyl-3-(3-chloro-4-fluorophenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]thiourea
CID 135789226
2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-chloro-4-fluorophenyl)acetamide
CID 135809212
N-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 135935998
N-benzyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135478145
N-benzyl-2-(3-fluorophenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135738129
N-[(2,4-difluorophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137278099

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,4-difluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The IUPAC name of N-butyl-2,4-difluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide (CID 135569960) is N-butyl-2,4-difluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide.
What is the SMILES notation for N-butyl-2,4-difluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The canonical SMILES for N-butyl-2,4-difluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide is CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(F)cc1F.
What is the InChIKey of N-butyl-2,4-difluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The InChIKey is QACFYPHSKKJJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-2-3-10-25(20(27)14-9-8-13(21)11-16(14)22)12-18-23-17-7-5-4-6-15(17)19(26)24-18/h4-9,11H,2-3,10,12H2,1H3,(H,23,24,26).
What are the key properties of N-butyl-2,4-difluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
N-butyl-2,4-difluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide has a molecular weight of 371.39 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,4-difluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide is sourced from PubChem (CID 135569960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).