bis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol

C21H30N2O — CID 70542858

IUPACbis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol
SMILESCN1CCCC2CC(C(O)C3=CC=C4C(CCCN4C)C3)=CC=C21
InChIInChI=1S/C21H30N2O/c1-22-11-3-5-15-13-17(7-9-19(15)22)21(24)18-8-10-20-16(14-18)6-4-12-23(20)2/h7-10,15-16,21,24H,3-6,11-14H2,1-2H3
InChIKeyVLVCQMHBBRHBLW-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.46
Rot. Bonds2

About bis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol

bis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol (PubChem CID 70542858) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is bis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol.

Molecular Properties

Compound Namebis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol
PubChem CID70542858
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Namebis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol
SMILESCN1CCCC2CC(C(O)C3=CC=C4C(CCCN4C)C3)=CC=C21
InChIInChI=1S/C21H30N2O/c1-22-11-3-5-15-13-17(7-9-19(15)22)21(24)18-8-10-20-16(14-18)6-4-12-23(20)2/h7-10,15-16,21,24H,3-6,11-14H2,1-2H3
InChIKeyVLVCQMHBBRHBLW-UHFFFAOYSA-N
XLogP3.46
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

n-Propyl-6-hydroxy-octahydrobenzo(g)quinoline
CID 129668328
3-Azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-1,8,13(22),15,17-pentaen-12-ol
CID 68121617
bis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol;methoxymethane
CID 70542857
(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol
CID 154386511
6-[methoxy-(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methyl]-1-methyl-3,4,4a,5-tetrahydro-2H-quinoline
CID 154413112
(4aR)-1-prop-2-enyl-3,4,4a,5,5a,6-hexahydro-2H-benzo[g]quinoline-6,7-diol
CID 68947287

Frequently Asked Questions

What is the IUPAC name of bis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol?
The IUPAC name of bis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol (CID 70542858) is bis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol.
What is the SMILES notation for bis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol?
The canonical SMILES for bis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol is CN1CCCC2CC(C(O)C3=CC=C4C(CCCN4C)C3)=CC=C21.
What is the InChIKey of bis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol?
The InChIKey is VLVCQMHBBRHBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-22-11-3-5-15-13-17(7-9-19(15)22)21(24)18-8-10-20-16(14-18)6-4-12-23(20)2/h7-10,15-16,21,24H,3-6,11-14H2,1-2H3.
What are the key properties of bis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol?
bis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol has a molecular weight of 326.48 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol is sourced from PubChem (CID 70542858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).