1-[2-(bromomethyl)-2-propylpentyl]quinolin-2-one

C18H24BrNO — CID 65006227

IUPAC1-[2-(bromomethyl)-2-propylpentyl]quinolin-2-one
SMILESCCCC(CBr)(CCC)Cn1c(=O)ccc2ccccc21
InChIInChI=1S/C18H24BrNO/c1-3-11-18(13-19,12-4-2)14-20-16-8-6-5-7-15(16)9-10-17(20)21/h5-10H,3-4,11-14H2,1-2H3
InChIKeyFWISPBVQUJXIDH-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.98
Rot. Bonds7

About 1-[2-(bromomethyl)-2-propylpentyl]quinolin-2-one

1-[2-(bromomethyl)-2-propylpentyl]quinolin-2-one (PubChem CID 65006227) has the molecular formula C18H24BrNO and a molecular weight of 350.30 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-2-propylpentyl]quinolin-2-one.

Molecular Properties

Compound Name1-[2-(bromomethyl)-2-propylpentyl]quinolin-2-one
PubChem CID65006227
Molecular FormulaC18H24BrNO
Molecular Weight350.30 g/mol
Exact Mass349.10
IUPAC Name1-[2-(bromomethyl)-2-propylpentyl]quinolin-2-one
SMILESCCCC(CBr)(CCC)Cn1c(=O)ccc2ccccc21
InChIInChI=1S/C18H24BrNO/c1-3-11-18(13-19,12-4-2)14-20-16-8-6-5-7-15(16)9-10-17(20)21/h5-10H,3-4,11-14H2,1-2H3
InChIKeyFWISPBVQUJXIDH-UHFFFAOYSA-N
XLogP4.98
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-2-propylpentyl]quinolin-2-one?
The IUPAC name of 1-[2-(bromomethyl)-2-propylpentyl]quinolin-2-one (CID 65006227) is 1-[2-(bromomethyl)-2-propylpentyl]quinolin-2-one.
What is the SMILES notation for 1-[2-(bromomethyl)-2-propylpentyl]quinolin-2-one?
The canonical SMILES for 1-[2-(bromomethyl)-2-propylpentyl]quinolin-2-one is CCCC(CBr)(CCC)Cn1c(=O)ccc2ccccc21.
What is the InChIKey of 1-[2-(bromomethyl)-2-propylpentyl]quinolin-2-one?
The InChIKey is FWISPBVQUJXIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO/c1-3-11-18(13-19,12-4-2)14-20-16-8-6-5-7-15(16)9-10-17(20)21/h5-10H,3-4,11-14H2,1-2H3.
What are the key properties of 1-[2-(bromomethyl)-2-propylpentyl]quinolin-2-one?
1-[2-(bromomethyl)-2-propylpentyl]quinolin-2-one has a molecular weight of 350.30 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-2-propylpentyl]quinolin-2-one is sourced from PubChem (CID 65006227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).