4-(dimethylamino)-2-naphthalen-1-yl-1-phenyl-1-quinolin-3-ylbutan-2-ol

C31H30N2O — CID 67428974

IUPAC4-(dimethylamino)-2-naphthalen-1-yl-1-phenyl-1-quinolin-3-ylbutan-2-ol
SMILESCN(C)CCC(O)(c1cccc2ccccc12)C(c1ccccc1)c1cnc2ccccc2c1
InChIInChI=1S/C31H30N2O/c1-33(2)20-19-31(34,28-17-10-15-23-11-6-8-16-27(23)28)30(24-12-4-3-5-13-24)26-21-25-14-7-9-18-29(25)32-22-26/h3-18,21-22,30,34H,19-20H2,1-2H3
InChIKeyRCTUUYIVYXLVON-UHFFFAOYSA-N
MW446.59 g/mol
LogP6.36
Rot. Bonds7

About 4-(dimethylamino)-2-naphthalen-1-yl-1-phenyl-1-quinolin-3-ylbutan-2-ol

4-(dimethylamino)-2-naphthalen-1-yl-1-phenyl-1-quinolin-3-ylbutan-2-ol (PubChem CID 67428974) has the molecular formula C31H30N2O and a molecular weight of 446.59 g/mol. Its IUPAC name is 4-(dimethylamino)-2-naphthalen-1-yl-1-phenyl-1-quinolin-3-ylbutan-2-ol.

Molecular Properties

Compound Name4-(dimethylamino)-2-naphthalen-1-yl-1-phenyl-1-quinolin-3-ylbutan-2-ol
PubChem CID67428974
Molecular FormulaC31H30N2O
Molecular Weight446.59 g/mol
Exact Mass446.24
IUPAC Name4-(dimethylamino)-2-naphthalen-1-yl-1-phenyl-1-quinolin-3-ylbutan-2-ol
SMILESCN(C)CCC(O)(c1cccc2ccccc12)C(c1ccccc1)c1cnc2ccccc2c1
InChIInChI=1S/C31H30N2O/c1-33(2)20-19-31(34,28-17-10-15-23-11-6-8-16-27(23)28)30(24-12-4-3-5-13-24)26-21-25-14-7-9-18-29(25)32-22-26/h3-18,21-22,30,34H,19-20H2,1-2H3
InChIKeyRCTUUYIVYXLVON-UHFFFAOYSA-N
XLogP6.36
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cinchonidine
CID 101744
Cinchonine
CID 90454
Hydrocinchonine, (+)-
CID 11630759
Alpha-quinidine
CID 2757
(5-Ethyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol
CID 101711
Dihydrocinchonidine
CID 6914728
(9R)-Cinchonan-9-ol
CID 5702153
4-(Hydroxymethyl)quinoline
CID 80479
(3R)-3-(4-Quinolin-6-ylphenyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 10404387
(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
CID 443155
Cinchonine Hydrochloride
CID 90453
(3S)-3-(4-Quinolin-6-ylphenyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 10314587

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-naphthalen-1-yl-1-phenyl-1-quinolin-3-ylbutan-2-ol?
The IUPAC name of 4-(dimethylamino)-2-naphthalen-1-yl-1-phenyl-1-quinolin-3-ylbutan-2-ol (CID 67428974) is 4-(dimethylamino)-2-naphthalen-1-yl-1-phenyl-1-quinolin-3-ylbutan-2-ol.
What is the SMILES notation for 4-(dimethylamino)-2-naphthalen-1-yl-1-phenyl-1-quinolin-3-ylbutan-2-ol?
The canonical SMILES for 4-(dimethylamino)-2-naphthalen-1-yl-1-phenyl-1-quinolin-3-ylbutan-2-ol is CN(C)CCC(O)(c1cccc2ccccc12)C(c1ccccc1)c1cnc2ccccc2c1.
What is the InChIKey of 4-(dimethylamino)-2-naphthalen-1-yl-1-phenyl-1-quinolin-3-ylbutan-2-ol?
The InChIKey is RCTUUYIVYXLVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O/c1-33(2)20-19-31(34,28-17-10-15-23-11-6-8-16-27(23)28)30(24-12-4-3-5-13-24)26-21-25-14-7-9-18-29(25)32-22-26/h3-18,21-22,30,34H,19-20H2,1-2H3.
What are the key properties of 4-(dimethylamino)-2-naphthalen-1-yl-1-phenyl-1-quinolin-3-ylbutan-2-ol?
4-(dimethylamino)-2-naphthalen-1-yl-1-phenyl-1-quinolin-3-ylbutan-2-ol has a molecular weight of 446.59 g/mol, XLogP of 6.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-naphthalen-1-yl-1-phenyl-1-quinolin-3-ylbutan-2-ol is sourced from PubChem (CID 67428974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).