N'-diphenylphosphoryl-2-phenyl-1-quinolin-2-ylethane-1,2-diamine

C29H26N3OP — CID 175018822

IUPACN'-diphenylphosphoryl-2-phenyl-1-quinolin-2-ylethane-1,2-diamine
SMILESNC(c1ccc2ccccc2n1)C(NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H26N3OP/c30-28(27-21-20-22-12-10-11-19-26(22)31-27)29(23-13-4-1-5-14-23)32-34(33,24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1-21,28-29H,30H2,(H,32,33)
InChIKeyVNGUQHVZIWHYLT-UHFFFAOYSA-N
MW463.52 g/mol
LogP5.49
Rot. Bonds7

About N'-diphenylphosphoryl-2-phenyl-1-quinolin-2-ylethane-1,2-diamine

N'-diphenylphosphoryl-2-phenyl-1-quinolin-2-ylethane-1,2-diamine (PubChem CID 175018822) has the molecular formula C29H26N3OP and a molecular weight of 463.52 g/mol. Its IUPAC name is N'-diphenylphosphoryl-2-phenyl-1-quinolin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-diphenylphosphoryl-2-phenyl-1-quinolin-2-ylethane-1,2-diamine
PubChem CID175018822
Molecular FormulaC29H26N3OP
Molecular Weight463.52 g/mol
Exact Mass463.18
IUPAC NameN'-diphenylphosphoryl-2-phenyl-1-quinolin-2-ylethane-1,2-diamine
SMILESNC(c1ccc2ccccc2n1)C(NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H26N3OP/c30-28(27-21-20-22-12-10-11-19-26(22)31-27)29(23-13-4-1-5-14-23)32-34(33,24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1-21,28-29H,30H2,(H,32,33)
InChIKeyVNGUQHVZIWHYLT-UHFFFAOYSA-N
XLogP5.49
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.52
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S)-N'-diphenylphosphoryl-1-(6-methyl-2-pyridinyl)-2-phenylethane-1,2-diamine
CID 150795814
N-diphenylphosphoryl-2-nitro-1-phenylpropan-1-amine
CID 72811858
amino(quinolin-2-yl)methanol
CID 154237779
(1R)-1-quinolin-2-ylethanamine;hydrochloride
CID 171216934
(1S)-1-quinolin-2-ylethanamine;hydrochloride
CID 171236571
(1R)-3,3-difluoro-1-quinolin-2-ylpropan-1-amine
CID 171314038
methyl (2R)-2-amino-2-quinolin-2-ylacetate
CID 131435940
amino(quinolin-2-yl)methanesulfinic acid
CID 66872593
2-(2,2,2-trifluoro-1-phenylethyl)quinoline
CID 122207773
N-[phenyl(quinolin-2-yl)methyl]ethanamine
CID 63222857
2-[(1R)-1-fluoroethyl]quinoline
CID 146161668
(1S)-1-quinolin-2-ylpropan-1-amine;hydrochloride
CID 171236572

Frequently Asked Questions

What is the IUPAC name of N'-diphenylphosphoryl-2-phenyl-1-quinolin-2-ylethane-1,2-diamine?
The IUPAC name of N'-diphenylphosphoryl-2-phenyl-1-quinolin-2-ylethane-1,2-diamine (CID 175018822) is N'-diphenylphosphoryl-2-phenyl-1-quinolin-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-diphenylphosphoryl-2-phenyl-1-quinolin-2-ylethane-1,2-diamine?
The canonical SMILES for N'-diphenylphosphoryl-2-phenyl-1-quinolin-2-ylethane-1,2-diamine is NC(c1ccc2ccccc2n1)C(NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-diphenylphosphoryl-2-phenyl-1-quinolin-2-ylethane-1,2-diamine?
The InChIKey is VNGUQHVZIWHYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N3OP/c30-28(27-21-20-22-12-10-11-19-26(22)31-27)29(23-13-4-1-5-14-23)32-34(33,24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1-21,28-29H,30H2,(H,32,33).
What are the key properties of N'-diphenylphosphoryl-2-phenyl-1-quinolin-2-ylethane-1,2-diamine?
N'-diphenylphosphoryl-2-phenyl-1-quinolin-2-ylethane-1,2-diamine has a molecular weight of 463.52 g/mol, XLogP of 5.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-diphenylphosphoryl-2-phenyl-1-quinolin-2-ylethane-1,2-diamine is sourced from PubChem (CID 175018822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).