6-bromo-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one

C26H20BrNO2 — CID 3448734

IUPAC6-bromo-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESO=C1CC(c2ccccc2OCc2ccccc2)c2cc(Br)c3ccccc3c2N1
InChIInChI=1S/C26H20BrNO2/c27-23-14-22-21(15-25(29)28-26(22)20-12-5-4-10-18(20)23)19-11-6-7-13-24(19)30-16-17-8-2-1-3-9-17/h1-14,21H,15-16H2,(H,28,29)
InChIKeyKEUSDTSZTNJPBW-UHFFFAOYSA-N
MW458.36 g/mol
LogP6.66
Rot. Bonds4

About 6-bromo-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one

6-bromo-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one (PubChem CID 3448734) has the molecular formula C26H20BrNO2 and a molecular weight of 458.36 g/mol. Its IUPAC name is 6-bromo-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one.

Molecular Properties

Compound Name6-bromo-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
PubChem CID3448734
Molecular FormulaC26H20BrNO2
Molecular Weight458.36 g/mol
Exact Mass457.07
IUPAC Name6-bromo-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESO=C1CC(c2ccccc2OCc2ccccc2)c2cc(Br)c3ccccc3c2N1
InChIInChI=1S/C26H20BrNO2/c27-23-14-22-21(15-25(29)28-26(22)20-12-5-4-10-18(20)23)19-11-6-7-13-24(19)30-16-17-8-2-1-3-9-17/h1-14,21H,15-16H2,(H,28,29)
InChIKeyKEUSDTSZTNJPBW-UHFFFAOYSA-N
XLogP6.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.36
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The IUPAC name of 6-bromo-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one (CID 3448734) is 6-bromo-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one.
What is the SMILES notation for 6-bromo-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The canonical SMILES for 6-bromo-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one is O=C1CC(c2ccccc2OCc2ccccc2)c2cc(Br)c3ccccc3c2N1.
What is the InChIKey of 6-bromo-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The InChIKey is KEUSDTSZTNJPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20BrNO2/c27-23-14-22-21(15-25(29)28-26(22)20-12-5-4-10-18(20)23)19-11-6-7-13-24(19)30-16-17-8-2-1-3-9-17/h1-14,21H,15-16H2,(H,28,29).
What are the key properties of 6-bromo-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
6-bromo-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one has a molecular weight of 458.36 g/mol, XLogP of 6.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one is sourced from PubChem (CID 3448734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).