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

C19H17BrN4O3 — CID 135783247

IUPAC3-bromo-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C19H17BrN4O3/c1-24(11-16-22-15-8-3-2-7-14(15)19(27)23-16)17(25)10-21-18(26)12-5-4-6-13(20)9-12/h2-9H,10-11H2,1H3,(H,21,26)(H,22,23,27)
InChIKeyBRSNELLEMAIGGD-UHFFFAOYSA-N
MW429.27 g/mol
LogP2.07
Rot. Bonds5

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

3-bromo-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide (PubChem CID 135783247) has the molecular formula C19H17BrN4O3 and a molecular weight of 429.27 g/mol. Its IUPAC name is 3-bromo-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide
PubChem CID135783247
Molecular FormulaC19H17BrN4O3
Molecular Weight429.27 g/mol
Exact Mass428.05
IUPAC Name3-bromo-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C19H17BrN4O3/c1-24(11-16-22-15-8-3-2-7-14(15)19(27)23-16)17(25)10-21-18(26)12-5-4-6-13(20)9-12/h2-9H,10-11H2,1H3,(H,21,26)(H,22,23,27)
InChIKeyBRSNELLEMAIGGD-UHFFFAOYSA-N
XLogP2.07
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.27
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 135903821
3-bromo-N-butan-2-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135687472
2-methoxy-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 135690873
3-chloro-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135570413
N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135690319
N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 135687208
N-methyl-2-methylsulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135951735
3-bromo-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]benzamide
CID 52599948
3-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767873
1-methyl-3-(2-methylpropyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 135687276
N-methyl-2-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135875449
3-bromo-N-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)methyl]benzamide
CID 135654101

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide (CID 135783247) is 3-bromo-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide is CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide?
The InChIKey is BRSNELLEMAIGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O3/c1-24(11-16-22-15-8-3-2-7-14(15)19(27)23-16)17(25)10-21-18(26)12-5-4-6-13(20)9-12/h2-9H,10-11H2,1H3,(H,21,26)(H,22,23,27).
What are the key properties of 3-bromo-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide?
3-bromo-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide has a molecular weight of 429.27 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 135783247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).