6-tert-butyl-5-dimethylphosphoryl-2-propan-2-ylquinoline

C18H26NOP — CID 170080833

IUPAC6-tert-butyl-5-dimethylphosphoryl-2-propan-2-ylquinoline
SMILESCC(C)c1ccc2c(P(C)(C)=O)c(C(C)(C)C)ccc2n1
InChIInChI=1S/C18H26NOP/c1-12(2)15-10-8-13-16(19-15)11-9-14(18(3,4)5)17(13)21(6,7)20/h8-12H,1-7H3
InChIKeyOTRDVYVGANQCKE-UHFFFAOYSA-N
MW303.39 g/mol
LogP4.90
Rot. Bonds2

About 6-tert-butyl-5-dimethylphosphoryl-2-propan-2-ylquinoline

6-tert-butyl-5-dimethylphosphoryl-2-propan-2-ylquinoline (PubChem CID 170080833) has the molecular formula C18H26NOP and a molecular weight of 303.39 g/mol. Its IUPAC name is 6-tert-butyl-5-dimethylphosphoryl-2-propan-2-ylquinoline.

Molecular Properties

Compound Name6-tert-butyl-5-dimethylphosphoryl-2-propan-2-ylquinoline
PubChem CID170080833
Molecular FormulaC18H26NOP
Molecular Weight303.39 g/mol
Exact Mass303.18
IUPAC Name6-tert-butyl-5-dimethylphosphoryl-2-propan-2-ylquinoline
SMILESCC(C)c1ccc2c(P(C)(C)=O)c(C(C)(C)C)ccc2n1
InChIInChI=1S/C18H26NOP/c1-12(2)15-10-8-13-16(19-15)11-9-14(18(3,4)5)17(13)21(6,7)20/h8-12H,1-7H3
InChIKeyOTRDVYVGANQCKE-UHFFFAOYSA-N
XLogP4.90
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 54.90
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 6-tert-butyl-5-dimethylphosphoryl-2-propan-2-ylquinoline?
The IUPAC name of 6-tert-butyl-5-dimethylphosphoryl-2-propan-2-ylquinoline (CID 170080833) is 6-tert-butyl-5-dimethylphosphoryl-2-propan-2-ylquinoline.
What is the SMILES notation for 6-tert-butyl-5-dimethylphosphoryl-2-propan-2-ylquinoline?
The canonical SMILES for 6-tert-butyl-5-dimethylphosphoryl-2-propan-2-ylquinoline is CC(C)c1ccc2c(P(C)(C)=O)c(C(C)(C)C)ccc2n1.
What is the InChIKey of 6-tert-butyl-5-dimethylphosphoryl-2-propan-2-ylquinoline?
The InChIKey is OTRDVYVGANQCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26NOP/c1-12(2)15-10-8-13-16(19-15)11-9-14(18(3,4)5)17(13)21(6,7)20/h8-12H,1-7H3.
What are the key properties of 6-tert-butyl-5-dimethylphosphoryl-2-propan-2-ylquinoline?
6-tert-butyl-5-dimethylphosphoryl-2-propan-2-ylquinoline has a molecular weight of 303.39 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-dimethylphosphoryl-2-propan-2-ylquinoline is sourced from PubChem (CID 170080833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).