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

C20H19BrN2O2 — CID 1162877

IUPAC6-bromo-3-(morpholin-4-ylmethyl)-4-phenyl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1CN1CCOCC1
InChIInChI=1S/C20H19BrN2O2/c21-15-6-7-18-16(12-15)19(14-4-2-1-3-5-14)17(20(24)22-18)13-23-8-10-25-11-9-23/h1-7,12H,8-11,13H2,(H,22,24)
InChIKeyMFMXUKBZTRUKOS-UHFFFAOYSA-N
MW399.29 g/mol
LogP3.79
Rot. Bonds3

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

6-bromo-3-(morpholin-4-ylmethyl)-4-phenyl-1H-quinolin-2-one (PubChem CID 1162877) has the molecular formula C20H19BrN2O2 and a molecular weight of 399.29 g/mol. Its IUPAC name is 6-bromo-3-(morpholin-4-ylmethyl)-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-3-(morpholin-4-ylmethyl)-4-phenyl-1H-quinolin-2-one
PubChem CID1162877
Molecular FormulaC20H19BrN2O2
Molecular Weight399.29 g/mol
Exact Mass398.06
IUPAC Name6-bromo-3-(morpholin-4-ylmethyl)-4-phenyl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1CN1CCOCC1
InChIInChI=1S/C20H19BrN2O2/c21-15-6-7-18-16(12-15)19(14-4-2-1-3-5-14)17(20(24)22-18)13-23-8-10-25-11-9-23/h1-7,12H,8-11,13H2,(H,22,24)
InChIKeyMFMXUKBZTRUKOS-UHFFFAOYSA-N
XLogP3.79
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(morpholin-4-ylmethyl)-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 6-bromo-3-(morpholin-4-ylmethyl)-4-phenyl-1H-quinolin-2-one (CID 1162877) is 6-bromo-3-(morpholin-4-ylmethyl)-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-3-(morpholin-4-ylmethyl)-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-3-(morpholin-4-ylmethyl)-4-phenyl-1H-quinolin-2-one is O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1CN1CCOCC1.
What is the InChIKey of 6-bromo-3-(morpholin-4-ylmethyl)-4-phenyl-1H-quinolin-2-one?
The InChIKey is MFMXUKBZTRUKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O2/c21-15-6-7-18-16(12-15)19(14-4-2-1-3-5-14)17(20(24)22-18)13-23-8-10-25-11-9-23/h1-7,12H,8-11,13H2,(H,22,24).
What are the key properties of 6-bromo-3-(morpholin-4-ylmethyl)-4-phenyl-1H-quinolin-2-one?
6-bromo-3-(morpholin-4-ylmethyl)-4-phenyl-1H-quinolin-2-one has a molecular weight of 399.29 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(morpholin-4-ylmethyl)-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 1162877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).