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

C21H20BrN3O2 — CID 135417641

IUPAC4-bromo-N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
SMILESO=C(c1ccc(Br)cc1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1
InChIInChI=1S/C21H20BrN3O2/c22-15-11-9-14(10-12-15)21(27)25(16-5-1-2-6-16)13-19-23-18-8-4-3-7-17(18)20(26)24-19/h3-4,7-12,16H,1-2,5-6,13H2,(H,23,24,26)
InChIKeyAFRKXFPBSFJILQ-UHFFFAOYSA-N
MW426.31 g/mol
LogP4.27
Rot. Bonds4

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

4-bromo-N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide (PubChem CID 135417641) has the molecular formula C21H20BrN3O2 and a molecular weight of 426.31 g/mol. Its IUPAC name is 4-bromo-N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
PubChem CID135417641
Molecular FormulaC21H20BrN3O2
Molecular Weight426.31 g/mol
Exact Mass425.07
IUPAC Name4-bromo-N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
SMILESO=C(c1ccc(Br)cc1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1
InChIInChI=1S/C21H20BrN3O2/c22-15-11-9-14(10-12-15)21(27)25(16-5-1-2-6-16)13-19-23-18-8-4-3-7-17(18)20(26)24-19/h3-4,7-12,16H,1-2,5-6,13H2,(H,23,24,26)
InChIKeyAFRKXFPBSFJILQ-UHFFFAOYSA-N
XLogP4.27
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.31
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The IUPAC name of 4-bromo-N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide (CID 135417641) is 4-bromo-N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide.
What is the SMILES notation for 4-bromo-N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The canonical SMILES for 4-bromo-N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide is O=C(c1ccc(Br)cc1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1.
What is the InChIKey of 4-bromo-N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The InChIKey is AFRKXFPBSFJILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O2/c22-15-11-9-14(10-12-15)21(27)25(16-5-1-2-6-16)13-19-23-18-8-4-3-7-17(18)20(26)24-19/h3-4,7-12,16H,1-2,5-6,13H2,(H,23,24,26).
What are the key properties of 4-bromo-N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
4-bromo-N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide has a molecular weight of 426.31 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide is sourced from PubChem (CID 135417641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).