4-(3-fluoro-2-methyl-6-propan-2-ylquinolin-5-yl)-1-methyl-1,4λ5-azaphosphinane 4-oxide

C18H24FN2OP — CID 171446494

IUPAC4-(3-fluoro-2-methyl-6-propan-2-ylquinolin-5-yl)-1-methyl-1,4λ5-azaphosphinane 4-oxide
SMILESCc1nc2ccc(C(C)C)c(P3(=O)CCN(C)CC3)c2cc1F
InChIInChI=1S/C18H24FN2OP/c1-12(2)14-5-6-17-15(11-16(19)13(3)20-17)18(14)23(22)9-7-21(4)8-10-23/h5-6,11-12H,7-10H2,1-4H3
InChIKeyQVGAJRZRWCCLBJ-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.74
Rot. Bonds2

About 4-(3-fluoro-2-methyl-6-propan-2-ylquinolin-5-yl)-1-methyl-1,4λ5-azaphosphinane 4-oxide

4-(3-fluoro-2-methyl-6-propan-2-ylquinolin-5-yl)-1-methyl-1,4λ5-azaphosphinane 4-oxide (PubChem CID 171446494) has the molecular formula C18H24FN2OP and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-(3-fluoro-2-methyl-6-propan-2-ylquinolin-5-yl)-1-methyl-1,4λ5-azaphosphinane 4-oxide.

Molecular Properties

Compound Name4-(3-fluoro-2-methyl-6-propan-2-ylquinolin-5-yl)-1-methyl-1,4λ5-azaphosphinane 4-oxide
PubChem CID171446494
Molecular FormulaC18H24FN2OP
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name4-(3-fluoro-2-methyl-6-propan-2-ylquinolin-5-yl)-1-methyl-1,4λ5-azaphosphinane 4-oxide
SMILESCc1nc2ccc(C(C)C)c(P3(=O)CCN(C)CC3)c2cc1F
InChIInChI=1S/C18H24FN2OP/c1-12(2)14-5-6-17-15(11-16(19)13(3)20-17)18(14)23(22)9-7-21(4)8-10-23/h5-6,11-12H,7-10H2,1-4H3
InChIKeyQVGAJRZRWCCLBJ-UHFFFAOYSA-N
XLogP3.74
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-methyl-6-propan-2-ylquinolin-5-yl)-1-methyl-1,4λ5-azaphosphinane 4-oxide?
The IUPAC name of 4-(3-fluoro-2-methyl-6-propan-2-ylquinolin-5-yl)-1-methyl-1,4λ5-azaphosphinane 4-oxide (CID 171446494) is 4-(3-fluoro-2-methyl-6-propan-2-ylquinolin-5-yl)-1-methyl-1,4λ5-azaphosphinane 4-oxide.
What is the SMILES notation for 4-(3-fluoro-2-methyl-6-propan-2-ylquinolin-5-yl)-1-methyl-1,4λ5-azaphosphinane 4-oxide?
The canonical SMILES for 4-(3-fluoro-2-methyl-6-propan-2-ylquinolin-5-yl)-1-methyl-1,4λ5-azaphosphinane 4-oxide is Cc1nc2ccc(C(C)C)c(P3(=O)CCN(C)CC3)c2cc1F.
What is the InChIKey of 4-(3-fluoro-2-methyl-6-propan-2-ylquinolin-5-yl)-1-methyl-1,4λ5-azaphosphinane 4-oxide?
The InChIKey is QVGAJRZRWCCLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN2OP/c1-12(2)14-5-6-17-15(11-16(19)13(3)20-17)18(14)23(22)9-7-21(4)8-10-23/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 4-(3-fluoro-2-methyl-6-propan-2-ylquinolin-5-yl)-1-methyl-1,4λ5-azaphosphinane 4-oxide?
4-(3-fluoro-2-methyl-6-propan-2-ylquinolin-5-yl)-1-methyl-1,4λ5-azaphosphinane 4-oxide has a molecular weight of 334.38 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-methyl-6-propan-2-ylquinolin-5-yl)-1-methyl-1,4λ5-azaphosphinane 4-oxide is sourced from PubChem (CID 171446494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).