dimethyl-methylidene-(3-methyl-6-propan-2-ylquinolin-5-yl)-λ5-phosphane

C16H22NP — CID 170079933

IUPACdimethyl-methylidene-(3-methyl-6-propan-2-ylquinolin-5-yl)-λ5-phosphane
SMILESC=P(C)(C)c1c(C(C)C)ccc2ncc(C)cc12
InChIInChI=1S/C16H22NP/c1-11(2)13-7-8-15-14(9-12(3)10-17-15)16(13)18(4,5)6/h7-11H,4H2,1-3,5-6H3
InChIKeyMZKAOGJNYOTQQC-UHFFFAOYSA-N
MW259.33 g/mol
LogP4.00
Rot. Bonds2

About dimethyl-methylidene-(3-methyl-6-propan-2-ylquinolin-5-yl)-λ5-phosphane

dimethyl-methylidene-(3-methyl-6-propan-2-ylquinolin-5-yl)-λ5-phosphane (PubChem CID 170079933) has the molecular formula C16H22NP and a molecular weight of 259.33 g/mol. Its IUPAC name is dimethyl-methylidene-(3-methyl-6-propan-2-ylquinolin-5-yl)-λ5-phosphane.

Molecular Properties

Compound Namedimethyl-methylidene-(3-methyl-6-propan-2-ylquinolin-5-yl)-λ5-phosphane
PubChem CID170079933
Molecular FormulaC16H22NP
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Namedimethyl-methylidene-(3-methyl-6-propan-2-ylquinolin-5-yl)-λ5-phosphane
SMILESC=P(C)(C)c1c(C(C)C)ccc2ncc(C)cc12
InChIInChI=1S/C16H22NP/c1-11(2)13-7-8-15-14(9-12(3)10-17-15)16(13)18(4,5)6/h7-11H,4H2,1-3,5-6H3
InChIKeyMZKAOGJNYOTQQC-UHFFFAOYSA-N
XLogP4.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-methylidene-(3-methyl-6-propan-2-ylquinolin-5-yl)-λ5-phosphane?
The IUPAC name of dimethyl-methylidene-(3-methyl-6-propan-2-ylquinolin-5-yl)-λ5-phosphane (CID 170079933) is dimethyl-methylidene-(3-methyl-6-propan-2-ylquinolin-5-yl)-λ5-phosphane.
What is the SMILES notation for dimethyl-methylidene-(3-methyl-6-propan-2-ylquinolin-5-yl)-λ5-phosphane?
The canonical SMILES for dimethyl-methylidene-(3-methyl-6-propan-2-ylquinolin-5-yl)-λ5-phosphane is C=P(C)(C)c1c(C(C)C)ccc2ncc(C)cc12.
What is the InChIKey of dimethyl-methylidene-(3-methyl-6-propan-2-ylquinolin-5-yl)-λ5-phosphane?
The InChIKey is MZKAOGJNYOTQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22NP/c1-11(2)13-7-8-15-14(9-12(3)10-17-15)16(13)18(4,5)6/h7-11H,4H2,1-3,5-6H3.
What are the key properties of dimethyl-methylidene-(3-methyl-6-propan-2-ylquinolin-5-yl)-λ5-phosphane?
dimethyl-methylidene-(3-methyl-6-propan-2-ylquinolin-5-yl)-λ5-phosphane has a molecular weight of 259.33 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-methylidene-(3-methyl-6-propan-2-ylquinolin-5-yl)-λ5-phosphane is sourced from PubChem (CID 170079933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).