6-bromo-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one

C15H17BrN2O2 — CID 660316

IUPAC6-bromo-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(Br)cc2c(=O)c1CN1CCOCC1
InChIInChI=1S/C15H17BrN2O2/c1-10-13(9-18-4-6-20-7-5-18)15(19)12-8-11(16)2-3-14(12)17-10/h2-3,8H,4-7,9H2,1H3,(H,17,19)
InChIKeyPNXHDAJMBUGSAJ-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.43
Rot. Bonds2

About 6-bromo-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one

6-bromo-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one (PubChem CID 660316) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 6-bromo-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-bromo-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one
PubChem CID660316
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name6-bromo-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(Br)cc2c(=O)c1CN1CCOCC1
InChIInChI=1S/C15H17BrN2O2/c1-10-13(9-18-4-6-20-7-5-18)15(19)12-8-11(16)2-3-14(12)17-10/h2-3,8H,4-7,9H2,1H3,(H,17,19)
InChIKeyPNXHDAJMBUGSAJ-UHFFFAOYSA-N
XLogP2.43
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one?
The IUPAC name of 6-bromo-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one (CID 660316) is 6-bromo-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-bromo-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one?
The canonical SMILES for 6-bromo-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one is Cc1[nH]c2ccc(Br)cc2c(=O)c1CN1CCOCC1.
What is the InChIKey of 6-bromo-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one?
The InChIKey is PNXHDAJMBUGSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-10-13(9-18-4-6-20-7-5-18)15(19)12-8-11(16)2-3-14(12)17-10/h2-3,8H,4-7,9H2,1H3,(H,17,19).
What are the key properties of 6-bromo-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one?
6-bromo-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one has a molecular weight of 337.22 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one is sourced from PubChem (CID 660316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).