6-bromo-2-chloro-4-methylquinoline;6-bromo-4-methyl-1H-quinolin-2-one

C20H15Br2ClN2O — CID 87438206

IUPAC6-bromo-2-chloro-4-methylquinoline;6-bromo-4-methyl-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2ccc(Br)cc12.Cc1cc(Cl)nc2ccc(Br)cc12
InChIInChI=1S/C10H7BrClN.C10H8BrNO/c1-6-4-10(12)13-9-3-2-7(11)5-8(6)9;1-6-4-10(13)12-9-3-2-7(11)5-8(6)9/h2-5H,1H3;2-5H,1H3,(H,12,13)
InChIKeyQQSPNBWKUGEYEO-UHFFFAOYSA-N
MW494.61 g/mol
LogP6.56
Rot. Bonds

About 6-bromo-2-chloro-4-methylquinoline;6-bromo-4-methyl-1H-quinolin-2-one

6-bromo-2-chloro-4-methylquinoline;6-bromo-4-methyl-1H-quinolin-2-one (PubChem CID 87438206) has the molecular formula C20H15Br2ClN2O and a molecular weight of 494.61 g/mol. Its IUPAC name is 6-bromo-2-chloro-4-methylquinoline;6-bromo-4-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-2-chloro-4-methylquinoline;6-bromo-4-methyl-1H-quinolin-2-one
PubChem CID87438206
Molecular FormulaC20H15Br2ClN2O
Molecular Weight494.61 g/mol
Exact Mass491.92
IUPAC Name6-bromo-2-chloro-4-methylquinoline;6-bromo-4-methyl-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2ccc(Br)cc12.Cc1cc(Cl)nc2ccc(Br)cc12
InChIInChI=1S/C10H7BrClN.C10H8BrNO/c1-6-4-10(12)13-9-3-2-7(11)5-8(6)9;1-6-4-10(13)12-9-3-2-7(11)5-8(6)9/h2-5H,1H3;2-5H,1H3,(H,12,13)
InChIKeyQQSPNBWKUGEYEO-UHFFFAOYSA-N
XLogP6.56
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.61
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-4-methylquinoline;6-bromo-4-methyl-1H-quinolin-2-one?
The IUPAC name of 6-bromo-2-chloro-4-methylquinoline;6-bromo-4-methyl-1H-quinolin-2-one (CID 87438206) is 6-bromo-2-chloro-4-methylquinoline;6-bromo-4-methyl-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-2-chloro-4-methylquinoline;6-bromo-4-methyl-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-2-chloro-4-methylquinoline;6-bromo-4-methyl-1H-quinolin-2-one is Cc1cc(=O)[nH]c2ccc(Br)cc12.Cc1cc(Cl)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-chloro-4-methylquinoline;6-bromo-4-methyl-1H-quinolin-2-one?
The InChIKey is QQSPNBWKUGEYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN.C10H8BrNO/c1-6-4-10(12)13-9-3-2-7(11)5-8(6)9;1-6-4-10(13)12-9-3-2-7(11)5-8(6)9/h2-5H,1H3;2-5H,1H3,(H,12,13).
What are the key properties of 6-bromo-2-chloro-4-methylquinoline;6-bromo-4-methyl-1H-quinolin-2-one?
6-bromo-2-chloro-4-methylquinoline;6-bromo-4-methyl-1H-quinolin-2-one has a molecular weight of 494.61 g/mol, XLogP of 6.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloro-4-methylquinoline;6-bromo-4-methyl-1H-quinolin-2-one is sourced from PubChem (CID 87438206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).