(1R)-N-diphenylphosphoryl-1-quinolin-3-ylpropan-1-amine

C24H23N2OP — CID 15313628

IUPAC(1R)-N-diphenylphosphoryl-1-quinolin-3-ylpropan-1-amine
SMILESCC[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1cnc2ccccc2c1
InChIInChI=1S/C24H23N2OP/c1-2-23(20-17-19-11-9-10-16-24(19)25-18-20)26-28(27,21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-18,23H,2H2,1H3,(H,26,27)/t23-/m1/s1
InChIKeyUBHFAHWORRYVPN-HSZRJFAPSA-N
MW386.44 g/mol
LogP5.20
Rot. Bonds6

About (1R)-N-diphenylphosphoryl-1-quinolin-3-ylpropan-1-amine

(1R)-N-diphenylphosphoryl-1-quinolin-3-ylpropan-1-amine (PubChem CID 15313628) has the molecular formula C24H23N2OP and a molecular weight of 386.44 g/mol. Its IUPAC name is (1R)-N-diphenylphosphoryl-1-quinolin-3-ylpropan-1-amine.

Molecular Properties

Compound Name(1R)-N-diphenylphosphoryl-1-quinolin-3-ylpropan-1-amine
PubChem CID15313628
Molecular FormulaC24H23N2OP
Molecular Weight386.44 g/mol
Exact Mass386.15
IUPAC Name(1R)-N-diphenylphosphoryl-1-quinolin-3-ylpropan-1-amine
SMILESCC[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1cnc2ccccc2c1
InChIInChI=1S/C24H23N2OP/c1-2-23(20-17-19-11-9-10-16-24(19)25-18-20)26-28(27,21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-18,23H,2H2,1H3,(H,26,27)/t23-/m1/s1
InChIKeyUBHFAHWORRYVPN-HSZRJFAPSA-N
XLogP5.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.44
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-phenylpropyl)quinolin-3-amine
CID 43691285
(1S)-N-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-amine
CID 101087200
1-quinolin-3-ylbutylhydrazine
CID 105202157
N-ethyl-3-methyl-1-quinolin-3-ylpentan-1-amine
CID 115798075
(1S)-1-(1,3-benzodioxol-5-yl)-N-diphenylphosphorylpropan-1-amine
CID 10948881
2-quinolin-3-ylbutanamide
CID 154121490
2-phenyl-1-quinolin-3-ylbutan-1-amine
CID 115798275
N-ethyl-2-ethylsulfanyl-1-quinolin-3-ylethanamine
CID 65127903
N-[1-(4-fluorophenyl)propyl]quinolin-3-amine
CID 43691286
1-quinolin-3-ylnonylhydrazine
CID 105286952
3-ethoxy-N-ethyl-1-quinolin-3-ylpropan-1-amine
CID 105097975
3-[(2-aminoacetyl)amino]-3-quinolin-3-ylpropanoic acid
CID 70246115

Frequently Asked Questions

What is the IUPAC name of (1R)-N-diphenylphosphoryl-1-quinolin-3-ylpropan-1-amine?
The IUPAC name of (1R)-N-diphenylphosphoryl-1-quinolin-3-ylpropan-1-amine (CID 15313628) is (1R)-N-diphenylphosphoryl-1-quinolin-3-ylpropan-1-amine.
What is the SMILES notation for (1R)-N-diphenylphosphoryl-1-quinolin-3-ylpropan-1-amine?
The canonical SMILES for (1R)-N-diphenylphosphoryl-1-quinolin-3-ylpropan-1-amine is CC[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1cnc2ccccc2c1.
What is the InChIKey of (1R)-N-diphenylphosphoryl-1-quinolin-3-ylpropan-1-amine?
The InChIKey is UBHFAHWORRYVPN-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H23N2OP/c1-2-23(20-17-19-11-9-10-16-24(19)25-18-20)26-28(27,21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-18,23H,2H2,1H3,(H,26,27)/t23-/m1/s1.
What are the key properties of (1R)-N-diphenylphosphoryl-1-quinolin-3-ylpropan-1-amine?
(1R)-N-diphenylphosphoryl-1-quinolin-3-ylpropan-1-amine has a molecular weight of 386.44 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-diphenylphosphoryl-1-quinolin-3-ylpropan-1-amine is sourced from PubChem (CID 15313628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).