5-dimethylphosphoryl-2-methyl-6-propan-2-ylquinoline

C15H20NOP — CID 170079441

IUPAC5-dimethylphosphoryl-2-methyl-6-propan-2-ylquinoline
SMILESCc1ccc2c(P(C)(C)=O)c(C(C)C)ccc2n1
InChIInChI=1S/C15H20NOP/c1-10(2)12-8-9-14-13(7-6-11(3)16-14)15(12)18(4,5)17/h6-10H,1-5H3
InChIKeyDYCBYKIXEVJZKV-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.91
Rot. Bonds2

About 5-dimethylphosphoryl-2-methyl-6-propan-2-ylquinoline

5-dimethylphosphoryl-2-methyl-6-propan-2-ylquinoline (PubChem CID 170079441) has the molecular formula C15H20NOP and a molecular weight of 261.31 g/mol. Its IUPAC name is 5-dimethylphosphoryl-2-methyl-6-propan-2-ylquinoline.

Molecular Properties

Compound Name5-dimethylphosphoryl-2-methyl-6-propan-2-ylquinoline
PubChem CID170079441
Molecular FormulaC15H20NOP
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name5-dimethylphosphoryl-2-methyl-6-propan-2-ylquinoline
SMILESCc1ccc2c(P(C)(C)=O)c(C(C)C)ccc2n1
InChIInChI=1S/C15H20NOP/c1-10(2)12-8-9-14-13(7-6-11(3)16-14)15(12)18(4,5)17/h6-10H,1-5H3
InChIKeyDYCBYKIXEVJZKV-UHFFFAOYSA-N
XLogP3.91
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-dimethylphosphoryl-2-methyl-6-propan-2-ylquinoline?
The IUPAC name of 5-dimethylphosphoryl-2-methyl-6-propan-2-ylquinoline (CID 170079441) is 5-dimethylphosphoryl-2-methyl-6-propan-2-ylquinoline.
What is the SMILES notation for 5-dimethylphosphoryl-2-methyl-6-propan-2-ylquinoline?
The canonical SMILES for 5-dimethylphosphoryl-2-methyl-6-propan-2-ylquinoline is Cc1ccc2c(P(C)(C)=O)c(C(C)C)ccc2n1.
What is the InChIKey of 5-dimethylphosphoryl-2-methyl-6-propan-2-ylquinoline?
The InChIKey is DYCBYKIXEVJZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20NOP/c1-10(2)12-8-9-14-13(7-6-11(3)16-14)15(12)18(4,5)17/h6-10H,1-5H3.
What are the key properties of 5-dimethylphosphoryl-2-methyl-6-propan-2-ylquinoline?
5-dimethylphosphoryl-2-methyl-6-propan-2-ylquinoline has a molecular weight of 261.31 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dimethylphosphoryl-2-methyl-6-propan-2-ylquinoline is sourced from PubChem (CID 170079441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).