N-(2-diphenylphosphanylphenyl)-N-methylquinolin-8-amine

C28H23N2P — CID 138547403

IUPACN-(2-diphenylphosphanylphenyl)-N-methylquinolin-8-amine
SMILESCN(c1ccccc1P(c1ccccc1)c1ccccc1)c1cccc2cccnc12
InChIInChI=1S/C28H23N2P/c1-30(26-19-10-12-22-13-11-21-29-28(22)26)25-18-8-9-20-27(25)31(23-14-4-2-5-15-23)24-16-6-3-7-17-24/h2-21H,1H3
InChIKeyWFEHTRRBFRCFOQ-UHFFFAOYSA-N
MW418.48 g/mol
LogP5.76
Rot. Bonds5

About N-(2-diphenylphosphanylphenyl)-N-methylquinolin-8-amine

N-(2-diphenylphosphanylphenyl)-N-methylquinolin-8-amine (PubChem CID 138547403) has the molecular formula C28H23N2P and a molecular weight of 418.48 g/mol. Its IUPAC name is N-(2-diphenylphosphanylphenyl)-N-methylquinolin-8-amine.

Molecular Properties

Compound NameN-(2-diphenylphosphanylphenyl)-N-methylquinolin-8-amine
PubChem CID138547403
Molecular FormulaC28H23N2P
Molecular Weight418.48 g/mol
Exact Mass418.16
IUPAC NameN-(2-diphenylphosphanylphenyl)-N-methylquinolin-8-amine
SMILESCN(c1ccccc1P(c1ccccc1)c1ccccc1)c1cccc2cccnc12
InChIInChI=1S/C28H23N2P/c1-30(26-19-10-12-22-13-11-21-29-28(22)26)25-18-8-9-20-27(25)31(23-14-4-2-5-15-23)24-16-6-3-7-17-24/h2-21H,1H3
InChIKeyWFEHTRRBFRCFOQ-UHFFFAOYSA-N
XLogP5.76
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.48
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 160721692
CID 160721692
N-dimethylalumanyl-N-methylquinolin-8-amine
CID 21014579
2-diphenylphosphanyl-N,N-diethylaniline
CID 13103880
1,1-bis(diphenylphosphanyl)-2-quinolin-8-ylhydrazine
CID 102053800
bis(1,10-phenanthroline);ruthenium
CID 15001085
N-methyl-2-nitro-N-quinolin-8-ylbenzenesulfonamide
CID 123578429
hafnium(4+);tetrakis(quinolin-8-olate);toluene
CID 139077805
8-chloroquinoline;ethane
CID 142246255
ethane;quinolin-8-amine
CID 91158659
2-[(2-methoxy-2-oxoethyl)-quinolin-8-ylamino]acetic acid
CID 59772112
N-methyl-2-(1,10-phenanthrolin-2-yloxy)-N-phenylaniline
CID 166442530
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517

Frequently Asked Questions

What is the IUPAC name of N-(2-diphenylphosphanylphenyl)-N-methylquinolin-8-amine?
The IUPAC name of N-(2-diphenylphosphanylphenyl)-N-methylquinolin-8-amine (CID 138547403) is N-(2-diphenylphosphanylphenyl)-N-methylquinolin-8-amine.
What is the SMILES notation for N-(2-diphenylphosphanylphenyl)-N-methylquinolin-8-amine?
The canonical SMILES for N-(2-diphenylphosphanylphenyl)-N-methylquinolin-8-amine is CN(c1ccccc1P(c1ccccc1)c1ccccc1)c1cccc2cccnc12.
What is the InChIKey of N-(2-diphenylphosphanylphenyl)-N-methylquinolin-8-amine?
The InChIKey is WFEHTRRBFRCFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N2P/c1-30(26-19-10-12-22-13-11-21-29-28(22)26)25-18-8-9-20-27(25)31(23-14-4-2-5-15-23)24-16-6-3-7-17-24/h2-21H,1H3.
What are the key properties of N-(2-diphenylphosphanylphenyl)-N-methylquinolin-8-amine?
N-(2-diphenylphosphanylphenyl)-N-methylquinolin-8-amine has a molecular weight of 418.48 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-diphenylphosphanylphenyl)-N-methylquinolin-8-amine is sourced from PubChem (CID 138547403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).