4-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-1-ol

C14H19F2NO2 — CID 110931720

IUPAC4-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-1-ol
SMILESOCCCCN1CCCc2cc(OC(F)F)ccc21
InChIInChI=1S/C14H19F2NO2/c15-14(16)19-12-5-6-13-11(10-12)4-3-8-17(13)7-1-2-9-18/h5-6,10,14,18H,1-4,7-9H2
InChIKeyMNXOJJWILGBARI-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.81
Rot. Bonds6

About 4-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-1-ol

4-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-1-ol (PubChem CID 110931720) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 4-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-1-ol
PubChem CID110931720
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name4-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-1-ol
SMILESOCCCCN1CCCc2cc(OC(F)F)ccc21
InChIInChI=1S/C14H19F2NO2/c15-14(16)19-12-5-6-13-11(10-12)4-3-8-17(13)7-1-2-9-18/h5-6,10,14,18H,1-4,7-9H2
InChIKeyMNXOJJWILGBARI-UHFFFAOYSA-N
XLogP2.81
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(6-amino-3,4-dihydro-2H-quinolin-1-yl)hexan-1-ol
CID 107704010
5-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-ol
CID 13472126
4-[6-[1-(ethylamino)ethyl]-3,4-dihydro-2H-quinolin-1-yl]butan-1-ol
CID 102662106
N-[4-(difluoromethoxy)phenyl]-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8593590
5-(7-amino-3,4-dihydro-2H-quinolin-1-yl)pentan-1-ol
CID 55055575
1-ethyl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline
CID 129301440
6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 82076236
(2R)-N-tert-butyl-2-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]propanamide
CID 94590779
1-hexyl-3,4-dihydro-2H-quinolin-6-ol;hydroiodide
CID 13300508
N-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine
CID 60840997
N'-acetyl-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetohydrazide
CID 37202880
1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102661907

Frequently Asked Questions

What is the IUPAC name of 4-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-1-ol?
The IUPAC name of 4-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-1-ol (CID 110931720) is 4-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-1-ol.
What is the SMILES notation for 4-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-1-ol?
The canonical SMILES for 4-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-1-ol is OCCCCN1CCCc2cc(OC(F)F)ccc21.
What is the InChIKey of 4-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-1-ol?
The InChIKey is MNXOJJWILGBARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c15-14(16)19-12-5-6-13-11(10-12)4-3-8-17(13)7-1-2-9-18/h5-6,10,14,18H,1-4,7-9H2.
What are the key properties of 4-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-1-ol?
4-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-1-ol has a molecular weight of 271.31 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-1-ol is sourced from PubChem (CID 110931720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).