N-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-4-methoxybenzamide

C18H18BrN3O3 — CID 18887390

IUPACN-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-4-methoxybenzamide
SMILESCCC1Nc2ccc(Br)cc2C(=O)N1NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H18BrN3O3/c1-3-16-20-15-9-6-12(19)10-14(15)18(24)22(16)21-17(23)11-4-7-13(25-2)8-5-11/h4-10,16,20H,3H2,1-2H3,(H,21,23)
InChIKeyCMRPHVVLMUPLIH-UHFFFAOYSA-N
MW404.26 g/mol
LogP3.41
Rot. Bonds4

About N-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-4-methoxybenzamide

N-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-4-methoxybenzamide (PubChem CID 18887390) has the molecular formula C18H18BrN3O3 and a molecular weight of 404.26 g/mol. Its IUPAC name is N-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-4-methoxybenzamide
PubChem CID18887390
Molecular FormulaC18H18BrN3O3
Molecular Weight404.26 g/mol
Exact Mass403.05
IUPAC NameN-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-4-methoxybenzamide
SMILESCCC1Nc2ccc(Br)cc2C(=O)N1NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H18BrN3O3/c1-3-16-20-15-9-6-12(19)10-14(15)18(24)22(16)21-17(23)11-4-7-13(25-2)8-5-11/h4-10,16,20H,3H2,1-2H3,(H,21,23)
InChIKeyCMRPHVVLMUPLIH-UHFFFAOYSA-N
XLogP3.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.26
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-4-methoxybenzamide?
The IUPAC name of N-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-4-methoxybenzamide (CID 18887390) is N-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-4-methoxybenzamide?
The canonical SMILES for N-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-4-methoxybenzamide is CCC1Nc2ccc(Br)cc2C(=O)N1NC(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-4-methoxybenzamide?
The InChIKey is CMRPHVVLMUPLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O3/c1-3-16-20-15-9-6-12(19)10-14(15)18(24)22(16)21-17(23)11-4-7-13(25-2)8-5-11/h4-10,16,20H,3H2,1-2H3,(H,21,23).
What are the key properties of N-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-4-methoxybenzamide?
N-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-4-methoxybenzamide has a molecular weight of 404.26 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-4-methoxybenzamide is sourced from PubChem (CID 18887390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).