5-bromo-N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]furan-2-carboxamide

C16H14BrN3O3 — CID 52901502

IUPAC5-bromo-N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]furan-2-carboxamide
SMILESCc1nc2ccccc2c(=O)n1CCNC(=O)c1ccc(Br)o1
InChIInChI=1S/C16H14BrN3O3/c1-10-19-12-5-3-2-4-11(12)16(22)20(10)9-8-18-15(21)13-6-7-14(17)23-13/h2-7H,8-9H2,1H3,(H,18,21)
InChIKeyZVZGHUJGPYSYME-UHFFFAOYSA-N
MW376.21 g/mol
LogP2.49
Rot. Bonds4

About 5-bromo-N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]furan-2-carboxamide

5-bromo-N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]furan-2-carboxamide (PubChem CID 52901502) has the molecular formula C16H14BrN3O3 and a molecular weight of 376.21 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]furan-2-carboxamide
PubChem CID52901502
Molecular FormulaC16H14BrN3O3
Molecular Weight376.21 g/mol
Exact Mass375.02
IUPAC Name5-bromo-N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]furan-2-carboxamide
SMILESCc1nc2ccccc2c(=O)n1CCNC(=O)c1ccc(Br)o1
InChIInChI=1S/C16H14BrN3O3/c1-10-19-12-5-3-2-4-11(12)16(22)20(10)9-8-18-15(21)13-6-7-14(17)23-13/h2-7H,8-9H2,1H3,(H,18,21)
InChIKeyZVZGHUJGPYSYME-UHFFFAOYSA-N
XLogP2.49
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]furan-2-carboxamide
CID 91818533
5-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)furan-2-carbohydrazide
CID 18139325
N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1H-indole-4-carboxamide
CID 71706749
2-methyl-3-[3-(methylamino)propyl]quinazolin-4-one
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CID 90490004
5-bromo-N-(2-pyrrol-1-ylethyl)furan-2-carboxamide
CID 110742704
3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-oxophthalazine-1-carboxamide
CID 4825768
2-(2-methyl-4-oxoquinazolin-3-yl)acetate
CID 6971388
N-benzyl-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 39822353
3-(2-methyl-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 36994619
N-tert-butyl-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide
CID 54672499
5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]furan-2-carboxamide (CID 52901502) is 5-bromo-N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]furan-2-carboxamide is Cc1nc2ccccc2c(=O)n1CCNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]furan-2-carboxamide?
The InChIKey is ZVZGHUJGPYSYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O3/c1-10-19-12-5-3-2-4-11(12)16(22)20(10)9-8-18-15(21)13-6-7-14(17)23-13/h2-7H,8-9H2,1H3,(H,18,21).
What are the key properties of 5-bromo-N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]furan-2-carboxamide?
5-bromo-N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]furan-2-carboxamide has a molecular weight of 376.21 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 52901502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).