3-bromo-N-butan-2-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide

C20H20BrN3O2 — CID 135687472

IUPAC3-bromo-N-butan-2-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
SMILESCCC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(Br)c1
InChIInChI=1S/C20H20BrN3O2/c1-3-13(2)24(20(26)14-7-6-8-15(21)11-14)12-18-22-17-10-5-4-9-16(17)19(25)23-18/h4-11,13H,3,12H2,1-2H3,(H,22,23,25)
InChIKeyRGJWPFZLUSYOSK-UHFFFAOYSA-N
MW414.30 g/mol
LogP4.13
Rot. Bonds5

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

3-bromo-N-butan-2-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide (PubChem CID 135687472) has the molecular formula C20H20BrN3O2 and a molecular weight of 414.30 g/mol. Its IUPAC name is 3-bromo-N-butan-2-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-butan-2-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
PubChem CID135687472
Molecular FormulaC20H20BrN3O2
Molecular Weight414.30 g/mol
Exact Mass413.07
IUPAC Name3-bromo-N-butan-2-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
SMILESCCC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(Br)c1
InChIInChI=1S/C20H20BrN3O2/c1-3-13(2)24(20(26)14-7-6-8-15(21)11-14)12-18-22-17-10-5-4-9-16(17)19(25)23-18/h4-11,13H,3,12H2,1-2H3,(H,22,23,25)
InChIKeyRGJWPFZLUSYOSK-UHFFFAOYSA-N
XLogP4.13
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135722195
3-bromo-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 135783247
3-(difluoromethoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135962295
N-butan-2-yl-2-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]prop-2-enamide
CID 166417321
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-ylbutanamide
CID 135962185
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
3-chloro-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135570413
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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-butan-2-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The IUPAC name of 3-bromo-N-butan-2-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide (CID 135687472) is 3-bromo-N-butan-2-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-N-butan-2-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-N-butan-2-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide is CCC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-butan-2-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The InChIKey is RGJWPFZLUSYOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O2/c1-3-13(2)24(20(26)14-7-6-8-15(21)11-14)12-18-22-17-10-5-4-9-16(17)19(25)23-18/h4-11,13H,3,12H2,1-2H3,(H,22,23,25).
What are the key properties of 3-bromo-N-butan-2-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
3-bromo-N-butan-2-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide has a molecular weight of 414.30 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-butan-2-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide is sourced from PubChem (CID 135687472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).