4-dimethylphosphoryl-3-propan-2-ylquinoline

C14H18NOP — CID 171586505

IUPAC4-dimethylphosphoryl-3-propan-2-ylquinoline
SMILESCC(C)c1cnc2ccccc2c1P(C)(C)=O
InChIInChI=1S/C14H18NOP/c1-10(2)12-9-15-13-8-6-5-7-11(13)14(12)17(3,4)16/h5-10H,1-4H3
InChIKeyFFAQYHBHBLQPBU-UHFFFAOYSA-N
MW247.28 g/mol
LogP3.61
Rot. Bonds2

About 4-dimethylphosphoryl-3-propan-2-ylquinoline

4-dimethylphosphoryl-3-propan-2-ylquinoline (PubChem CID 171586505) has the molecular formula C14H18NOP and a molecular weight of 247.28 g/mol. Its IUPAC name is 4-dimethylphosphoryl-3-propan-2-ylquinoline.

Molecular Properties

Compound Name4-dimethylphosphoryl-3-propan-2-ylquinoline
PubChem CID171586505
Molecular FormulaC14H18NOP
Molecular Weight247.28 g/mol
Exact Mass247.11
IUPAC Name4-dimethylphosphoryl-3-propan-2-ylquinoline
SMILESCC(C)c1cnc2ccccc2c1P(C)(C)=O
InChIInChI=1S/C14H18NOP/c1-10(2)12-9-15-13-8-6-5-7-11(13)14(12)17(3,4)16/h5-10H,1-4H3
InChIKeyFFAQYHBHBLQPBU-UHFFFAOYSA-N
XLogP3.61
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-dimethylphosphoryl-3-propan-2-ylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-dimethylphosphoryl-3-propan-2-ylquinoline?
The IUPAC name of 4-dimethylphosphoryl-3-propan-2-ylquinoline (CID 171586505) is 4-dimethylphosphoryl-3-propan-2-ylquinoline.
What is the SMILES notation for 4-dimethylphosphoryl-3-propan-2-ylquinoline?
The canonical SMILES for 4-dimethylphosphoryl-3-propan-2-ylquinoline is CC(C)c1cnc2ccccc2c1P(C)(C)=O.
What is the InChIKey of 4-dimethylphosphoryl-3-propan-2-ylquinoline?
The InChIKey is FFAQYHBHBLQPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18NOP/c1-10(2)12-9-15-13-8-6-5-7-11(13)14(12)17(3,4)16/h5-10H,1-4H3.
What are the key properties of 4-dimethylphosphoryl-3-propan-2-ylquinoline?
4-dimethylphosphoryl-3-propan-2-ylquinoline has a molecular weight of 247.28 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethylphosphoryl-3-propan-2-ylquinoline is sourced from PubChem (CID 171586505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).