2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinoline

C18H15NO2 — CID 2620938

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinoline
SMILESCc1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12
InChIInChI=1S/C18H15NO2/c1-12-10-16(19-15-5-3-2-4-14(12)15)13-6-7-17-18(11-13)21-9-8-20-17/h2-7,10-11H,8-9H2,1H3
InChIKeyOFSAKVJIRVLCFC-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.98
Rot. Bonds1

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinoline

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinoline (PubChem CID 2620938) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinoline.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinoline
PubChem CID2620938
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinoline
SMILESCc1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12
InChIInChI=1S/C18H15NO2/c1-12-10-16(19-15-5-3-2-4-14(12)15)13-6-7-17-18(11-13)21-9-8-20-17/h2-7,10-11H,8-9H2,1H3
InChIKeyOFSAKVJIRVLCFC-UHFFFAOYSA-N
XLogP3.98
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl chloride
CID 46779784
2-(3,4-dimethylphenyl)-4-methylquinoline;hydrochloride
CID 47104793
2-(1,3-benzodioxol-5-yl)-4-chloroquinoline
CID 58658852
2-(4-iodophenyl)-4-methylquinoline
CID 8966469
2-[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]acetic acid
CID 91665266
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxypropan-2-yl)quinoline-4-carboxamide
CID 78856708
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-7-yl]-2-methoxyacetamide
CID 169422185
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine
CID 90367961
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 17372199
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methoxypropan-2-yl)quinoline-4-carboxamide
CID 51172531
4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline
CID 59274673
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-3-yl]acetic acid
CID 18073383

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinoline?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinoline (CID 2620938) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinoline.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinoline?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinoline is Cc1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinoline?
The InChIKey is OFSAKVJIRVLCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-12-10-16(19-15-5-3-2-4-14(12)15)13-6-7-17-18(11-13)21-9-8-20-17/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinoline?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinoline has a molecular weight of 277.32 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinoline is sourced from PubChem (CID 2620938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).