(3,3-dimethyl-1-quinolin-3-yl-2,4-dihydro-1H-isoquinolin-5-yl)methanol

C21H22N2O — CID 23160849

IUPAC(3,3-dimethyl-1-quinolin-3-yl-2,4-dihydro-1H-isoquinolin-5-yl)methanol
SMILESCC1(C)Cc2c(CO)cccc2C(c2cnc3ccccc3c2)N1
InChIInChI=1S/C21H22N2O/c1-21(2)11-18-15(13-24)7-5-8-17(18)20(23-21)16-10-14-6-3-4-9-19(14)22-12-16/h3-10,12,20,23-24H,11,13H2,1-2H3
InChIKeyAIBSWDYSOXFSKM-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.74
Rot. Bonds2

About (3,3-dimethyl-1-quinolin-3-yl-2,4-dihydro-1H-isoquinolin-5-yl)methanol

(3,3-dimethyl-1-quinolin-3-yl-2,4-dihydro-1H-isoquinolin-5-yl)methanol (PubChem CID 23160849) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is (3,3-dimethyl-1-quinolin-3-yl-2,4-dihydro-1H-isoquinolin-5-yl)methanol.

Molecular Properties

Compound Name(3,3-dimethyl-1-quinolin-3-yl-2,4-dihydro-1H-isoquinolin-5-yl)methanol
PubChem CID23160849
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name(3,3-dimethyl-1-quinolin-3-yl-2,4-dihydro-1H-isoquinolin-5-yl)methanol
SMILESCC1(C)Cc2c(CO)cccc2C(c2cnc3ccccc3c2)N1
InChIInChI=1S/C21H22N2O/c1-21(2)11-18-15(13-24)7-5-8-17(18)20(23-21)16-10-14-6-3-4-9-19(14)22-12-16/h3-10,12,20,23-24H,11,13H2,1-2H3
InChIKeyAIBSWDYSOXFSKM-UHFFFAOYSA-N
XLogP3.74
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-1-quinolin-3-yl-2,4-dihydro-1H-isoquinolin-5-yl)methanol?
The IUPAC name of (3,3-dimethyl-1-quinolin-3-yl-2,4-dihydro-1H-isoquinolin-5-yl)methanol (CID 23160849) is (3,3-dimethyl-1-quinolin-3-yl-2,4-dihydro-1H-isoquinolin-5-yl)methanol.
What is the SMILES notation for (3,3-dimethyl-1-quinolin-3-yl-2,4-dihydro-1H-isoquinolin-5-yl)methanol?
The canonical SMILES for (3,3-dimethyl-1-quinolin-3-yl-2,4-dihydro-1H-isoquinolin-5-yl)methanol is CC1(C)Cc2c(CO)cccc2C(c2cnc3ccccc3c2)N1.
What is the InChIKey of (3,3-dimethyl-1-quinolin-3-yl-2,4-dihydro-1H-isoquinolin-5-yl)methanol?
The InChIKey is AIBSWDYSOXFSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-21(2)11-18-15(13-24)7-5-8-17(18)20(23-21)16-10-14-6-3-4-9-19(14)22-12-16/h3-10,12,20,23-24H,11,13H2,1-2H3.
What are the key properties of (3,3-dimethyl-1-quinolin-3-yl-2,4-dihydro-1H-isoquinolin-5-yl)methanol?
(3,3-dimethyl-1-quinolin-3-yl-2,4-dihydro-1H-isoquinolin-5-yl)methanol has a molecular weight of 318.42 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-1-quinolin-3-yl-2,4-dihydro-1H-isoquinolin-5-yl)methanol is sourced from PubChem (CID 23160849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).