(3R)-2,2-dimethyl-3-quinolin-2-yl-1,4-benzodioxin-3-ol

C19H17NO3 — CID 2303816

IUPAC(3R)-2,2-dimethyl-3-quinolin-2-yl-1,4-benzodioxin-3-ol
SMILESCC1(C)Oc2ccccc2O[C@]1(O)c1ccc2ccccc2n1
InChIInChI=1S/C19H17NO3/c1-18(2)19(21,23-16-10-6-5-9-15(16)22-18)17-12-11-13-7-3-4-8-14(13)20-17/h3-12,21H,1-2H3/t19-/m1/s1
InChIKeyBRSRMBIRKVDRSC-LJQANCHMSA-N
MW307.35 g/mol
LogP3.63
Rot. Bonds1

About (3R)-2,2-dimethyl-3-quinolin-2-yl-1,4-benzodioxin-3-ol

(3R)-2,2-dimethyl-3-quinolin-2-yl-1,4-benzodioxin-3-ol (PubChem CID 2303816) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is (3R)-2,2-dimethyl-3-quinolin-2-yl-1,4-benzodioxin-3-ol.

Molecular Properties

Compound Name(3R)-2,2-dimethyl-3-quinolin-2-yl-1,4-benzodioxin-3-ol
PubChem CID2303816
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name(3R)-2,2-dimethyl-3-quinolin-2-yl-1,4-benzodioxin-3-ol
SMILESCC1(C)Oc2ccccc2O[C@]1(O)c1ccc2ccccc2n1
InChIInChI=1S/C19H17NO3/c1-18(2)19(21,23-16-10-6-5-9-15(16)22-18)17-12-11-13-7-3-4-8-14(13)20-17/h3-12,21H,1-2H3/t19-/m1/s1
InChIKeyBRSRMBIRKVDRSC-LJQANCHMSA-N
XLogP3.63
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-dimethyl-3-quinolin-2-yl-1,4-benzodioxin-3-ol?
The IUPAC name of (3R)-2,2-dimethyl-3-quinolin-2-yl-1,4-benzodioxin-3-ol (CID 2303816) is (3R)-2,2-dimethyl-3-quinolin-2-yl-1,4-benzodioxin-3-ol.
What is the SMILES notation for (3R)-2,2-dimethyl-3-quinolin-2-yl-1,4-benzodioxin-3-ol?
The canonical SMILES for (3R)-2,2-dimethyl-3-quinolin-2-yl-1,4-benzodioxin-3-ol is CC1(C)Oc2ccccc2O[C@]1(O)c1ccc2ccccc2n1.
What is the InChIKey of (3R)-2,2-dimethyl-3-quinolin-2-yl-1,4-benzodioxin-3-ol?
The InChIKey is BRSRMBIRKVDRSC-LJQANCHMSA-N. The full InChI is InChI=1S/C19H17NO3/c1-18(2)19(21,23-16-10-6-5-9-15(16)22-18)17-12-11-13-7-3-4-8-14(13)20-17/h3-12,21H,1-2H3/t19-/m1/s1.
What are the key properties of (3R)-2,2-dimethyl-3-quinolin-2-yl-1,4-benzodioxin-3-ol?
(3R)-2,2-dimethyl-3-quinolin-2-yl-1,4-benzodioxin-3-ol has a molecular weight of 307.35 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-dimethyl-3-quinolin-2-yl-1,4-benzodioxin-3-ol is sourced from PubChem (CID 2303816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).