7-bromo-3-methyl-2-(4-methylmorpholin-3-yl)quinazolin-4-one

C14H16BrN3O2 — CID 58574579

IUPAC7-bromo-3-methyl-2-(4-methylmorpholin-3-yl)quinazolin-4-one
SMILESCN1CCOCC1c1nc2cc(Br)ccc2c(=O)n1C
InChIInChI=1S/C14H16BrN3O2/c1-17-5-6-20-8-12(17)13-16-11-7-9(15)3-4-10(11)14(19)18(13)2/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeyPWBMTGLBXFANET-UHFFFAOYSA-N
MW338.21 g/mol
LogP1.70
Rot. Bonds1

About 7-bromo-3-methyl-2-(4-methylmorpholin-3-yl)quinazolin-4-one

7-bromo-3-methyl-2-(4-methylmorpholin-3-yl)quinazolin-4-one (PubChem CID 58574579) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 7-bromo-3-methyl-2-(4-methylmorpholin-3-yl)quinazolin-4-one.

Molecular Properties

Compound Name7-bromo-3-methyl-2-(4-methylmorpholin-3-yl)quinazolin-4-one
PubChem CID58574579
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name7-bromo-3-methyl-2-(4-methylmorpholin-3-yl)quinazolin-4-one
SMILESCN1CCOCC1c1nc2cc(Br)ccc2c(=O)n1C
InChIInChI=1S/C14H16BrN3O2/c1-17-5-6-20-8-12(17)13-16-11-7-9(15)3-4-10(11)14(19)18(13)2/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeyPWBMTGLBXFANET-UHFFFAOYSA-N
XLogP1.70
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-methyl-2-(4-methylmorpholin-3-yl)quinazolin-4-one?
The IUPAC name of 7-bromo-3-methyl-2-(4-methylmorpholin-3-yl)quinazolin-4-one (CID 58574579) is 7-bromo-3-methyl-2-(4-methylmorpholin-3-yl)quinazolin-4-one.
What is the SMILES notation for 7-bromo-3-methyl-2-(4-methylmorpholin-3-yl)quinazolin-4-one?
The canonical SMILES for 7-bromo-3-methyl-2-(4-methylmorpholin-3-yl)quinazolin-4-one is CN1CCOCC1c1nc2cc(Br)ccc2c(=O)n1C.
What is the InChIKey of 7-bromo-3-methyl-2-(4-methylmorpholin-3-yl)quinazolin-4-one?
The InChIKey is PWBMTGLBXFANET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-17-5-6-20-8-12(17)13-16-11-7-9(15)3-4-10(11)14(19)18(13)2/h3-4,7,12H,5-6,8H2,1-2H3.
What are the key properties of 7-bromo-3-methyl-2-(4-methylmorpholin-3-yl)quinazolin-4-one?
7-bromo-3-methyl-2-(4-methylmorpholin-3-yl)quinazolin-4-one has a molecular weight of 338.21 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-methyl-2-(4-methylmorpholin-3-yl)quinazolin-4-one is sourced from PubChem (CID 58574579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).