7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonane-3-carbonitrile

C19H21N2P — CID 155419779

IUPAC7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonane-3-carbonitrile
SMILESN#CC1CCC12CCC(c1ccnc3ccc(P)cc13)CC2
InChIInChI=1S/C19H21N2P/c20-12-14-5-9-19(14)7-3-13(4-8-19)16-6-10-21-18-2-1-15(22)11-17(16)18/h1-2,6,10-11,13-14H,3-5,7-9,22H2
InChIKeyMWLIVKUQEZSOBR-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.31
Rot. Bonds1

About 7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonane-3-carbonitrile

7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonane-3-carbonitrile (PubChem CID 155419779) has the molecular formula C19H21N2P and a molecular weight of 308.36 g/mol. Its IUPAC name is 7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonane-3-carbonitrile.

Molecular Properties

Compound Name7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonane-3-carbonitrile
PubChem CID155419779
Molecular FormulaC19H21N2P
Molecular Weight308.36 g/mol
Exact Mass308.14
IUPAC Name7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonane-3-carbonitrile
SMILESN#CC1CCC12CCC(c1ccnc3ccc(P)cc13)CC2
InChIInChI=1S/C19H21N2P/c20-12-14-5-9-19(14)7-3-13(4-8-19)16-6-10-21-18-2-1-15(22)11-17(16)18/h1-2,6,10-11,13-14H,3-5,7-9,22H2
InChIKeyMWLIVKUQEZSOBR-UHFFFAOYSA-N
XLogP4.31
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.31
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 7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonane-3-carbonitrile?
The IUPAC name of 7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonane-3-carbonitrile (CID 155419779) is 7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonane-3-carbonitrile.
What is the SMILES notation for 7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonane-3-carbonitrile?
The canonical SMILES for 7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonane-3-carbonitrile is N#CC1CCC12CCC(c1ccnc3ccc(P)cc13)CC2.
What is the InChIKey of 7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonane-3-carbonitrile?
The InChIKey is MWLIVKUQEZSOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N2P/c20-12-14-5-9-19(14)7-3-13(4-8-19)16-6-10-21-18-2-1-15(22)11-17(16)18/h1-2,6,10-11,13-14H,3-5,7-9,22H2.
What are the key properties of 7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonane-3-carbonitrile?
7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonane-3-carbonitrile has a molecular weight of 308.36 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonane-3-carbonitrile is sourced from PubChem (CID 155419779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).