1-(N-phenylanilino)-3-quinolin-8-yloxypropan-2-ol

C24H22N2O2 — CID 3069813

IUPAC1-(N-phenylanilino)-3-quinolin-8-yloxypropan-2-ol
SMILESOC(COc1cccc2cccnc12)CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O2/c27-22(18-28-23-15-7-9-19-10-8-16-25-24(19)23)17-26(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-16,22,27H,17-18H2
InChIKeyDWJVQCGHBOADCV-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.81
Rot. Bonds7

About 1-(N-phenylanilino)-3-quinolin-8-yloxypropan-2-ol

1-(N-phenylanilino)-3-quinolin-8-yloxypropan-2-ol (PubChem CID 3069813) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-(N-phenylanilino)-3-quinolin-8-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(N-phenylanilino)-3-quinolin-8-yloxypropan-2-ol
PubChem CID3069813
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name1-(N-phenylanilino)-3-quinolin-8-yloxypropan-2-ol
SMILESOC(COc1cccc2cccnc12)CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O2/c27-22(18-28-23-15-7-9-19-10-8-16-25-24(19)23)17-26(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-16,22,27H,17-18H2
InChIKeyDWJVQCGHBOADCV-UHFFFAOYSA-N
XLogP4.81
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-morpholin-4-yl-3-quinolin-8-yloxypropan-2-ol
CID 3069803
1-(2,6-dimethylmorpholin-4-yl)-3-quinolin-8-yloxypropan-2-ol
CID 109412607
2-(methylamino)-3-quinolin-8-yloxypropan-1-ol
CID 64803231
1-[N-(2-hydroxyethyl)anilino]-3-naphthalen-1-yloxypropan-2-ol
CID 138959459
8-(chloromethoxy)quinoline
CID 79531226
8-[(E)-3-phenylprop-2-enoxy]quinoline
CID 66545724
1-methoxy-3-[methyl(quinolin-8-ylmethyl)amino]propan-2-ol
CID 62016123
1-(N-phenylanilino)-3-propan-2-yloxypropan-2-ol
CID 53355364
1-[benzyl(methyl)amino]-3-(5-chloroquinolin-8-yl)oxypropan-2-ol
CID 154834075
2-(ethylamino)-3-quinolin-8-yloxypropan-1-ol
CID 64805310
3,3,3-trifluoro-2-(quinolin-8-yloxymethyl)propanethioamide
CID 103369087
3-N,3-N-dimethyl-4-quinolin-8-yloxybutane-1,3-diamine
CID 112501008

Frequently Asked Questions

What is the IUPAC name of 1-(N-phenylanilino)-3-quinolin-8-yloxypropan-2-ol?
The IUPAC name of 1-(N-phenylanilino)-3-quinolin-8-yloxypropan-2-ol (CID 3069813) is 1-(N-phenylanilino)-3-quinolin-8-yloxypropan-2-ol.
What is the SMILES notation for 1-(N-phenylanilino)-3-quinolin-8-yloxypropan-2-ol?
The canonical SMILES for 1-(N-phenylanilino)-3-quinolin-8-yloxypropan-2-ol is OC(COc1cccc2cccnc12)CN(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(N-phenylanilino)-3-quinolin-8-yloxypropan-2-ol?
The InChIKey is DWJVQCGHBOADCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c27-22(18-28-23-15-7-9-19-10-8-16-25-24(19)23)17-26(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-16,22,27H,17-18H2.
What are the key properties of 1-(N-phenylanilino)-3-quinolin-8-yloxypropan-2-ol?
1-(N-phenylanilino)-3-quinolin-8-yloxypropan-2-ol has a molecular weight of 370.45 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-phenylanilino)-3-quinolin-8-yloxypropan-2-ol is sourced from PubChem (CID 3069813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).