1-(3-bromo-5-methylphenyl)-6-methoxy-3,4-dihydro-2H-quinoline;carbon dioxide

C18H18BrNO3 — CID 161063774

IUPAC1-(3-bromo-5-methylphenyl)-6-methoxy-3,4-dihydro-2H-quinoline;carbon dioxide
SMILESCOc1ccc2c(c1)CCCN2c1cc(C)cc(Br)c1.O=C=O
InChIInChI=1S/C17H18BrNO.CO2/c1-12-8-14(18)11-15(9-12)19-7-3-4-13-10-16(20-2)5-6-17(13)19;2-1-3/h5-6,8-11H,3-4,7H2,1-2H3;
InChIKeyUDSXGIVEDHVZBU-UHFFFAOYSA-N
MW376.25 g/mol
LogP4.27
Rot. Bonds2

About 1-(3-bromo-5-methylphenyl)-6-methoxy-3,4-dihydro-2H-quinoline;carbon dioxide

1-(3-bromo-5-methylphenyl)-6-methoxy-3,4-dihydro-2H-quinoline;carbon dioxide (PubChem CID 161063774) has the molecular formula C18H18BrNO3 and a molecular weight of 376.25 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-6-methoxy-3,4-dihydro-2H-quinoline;carbon dioxide.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-6-methoxy-3,4-dihydro-2H-quinoline;carbon dioxide
PubChem CID161063774
Molecular FormulaC18H18BrNO3
Molecular Weight376.25 g/mol
Exact Mass375.05
IUPAC Name1-(3-bromo-5-methylphenyl)-6-methoxy-3,4-dihydro-2H-quinoline;carbon dioxide
SMILESCOc1ccc2c(c1)CCCN2c1cc(C)cc(Br)c1.O=C=O
InChIInChI=1S/C17H18BrNO.CO2/c1-12-8-14(18)11-15(9-12)19-7-3-4-13-10-16(20-2)5-6-17(13)19;2-1-3/h5-6,8-11H,3-4,7H2,1-2H3;
InChIKeyUDSXGIVEDHVZBU-UHFFFAOYSA-N
XLogP4.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-6-methoxy-3,4-dihydro-2H-quinoline;carbon dioxide?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-6-methoxy-3,4-dihydro-2H-quinoline;carbon dioxide (CID 161063774) is 1-(3-bromo-5-methylphenyl)-6-methoxy-3,4-dihydro-2H-quinoline;carbon dioxide.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-6-methoxy-3,4-dihydro-2H-quinoline;carbon dioxide?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-6-methoxy-3,4-dihydro-2H-quinoline;carbon dioxide is COc1ccc2c(c1)CCCN2c1cc(C)cc(Br)c1.O=C=O.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-6-methoxy-3,4-dihydro-2H-quinoline;carbon dioxide?
The InChIKey is UDSXGIVEDHVZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO.CO2/c1-12-8-14(18)11-15(9-12)19-7-3-4-13-10-16(20-2)5-6-17(13)19;2-1-3/h5-6,8-11H,3-4,7H2,1-2H3;.
What are the key properties of 1-(3-bromo-5-methylphenyl)-6-methoxy-3,4-dihydro-2H-quinoline;carbon dioxide?
1-(3-bromo-5-methylphenyl)-6-methoxy-3,4-dihydro-2H-quinoline;carbon dioxide has a molecular weight of 376.25 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)-6-methoxy-3,4-dihydro-2H-quinoline;carbon dioxide is sourced from PubChem (CID 161063774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).