6-(difluoromethoxy)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)isoindol-1-ol

C19H18F2N2O2 — CID 91209816

IUPAC6-(difluoromethoxy)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)isoindol-1-ol
SMILESCN1CCCc2cc(-n3cc4ccc(OC(F)F)cc4c3O)ccc21
InChIInChI=1S/C19H18F2N2O2/c1-22-8-2-3-12-9-14(5-7-17(12)22)23-11-13-4-6-15(25-19(20)21)10-16(13)18(23)24/h4-7,9-11,19,24H,2-3,8H2,1H3
InChIKeyMKZGFWXOYWGVTN-UHFFFAOYSA-N
MW344.36 g/mol
LogP4.32
Rot. Bonds3

About 6-(difluoromethoxy)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)isoindol-1-ol

6-(difluoromethoxy)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)isoindol-1-ol (PubChem CID 91209816) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is 6-(difluoromethoxy)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)isoindol-1-ol.

Molecular Properties

Compound Name6-(difluoromethoxy)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)isoindol-1-ol
PubChem CID91209816
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name6-(difluoromethoxy)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)isoindol-1-ol
SMILESCN1CCCc2cc(-n3cc4ccc(OC(F)F)cc4c3O)ccc21
InChIInChI=1S/C19H18F2N2O2/c1-22-8-2-3-12-9-14(5-7-17(12)22)23-11-13-4-6-15(25-19(20)21)10-16(13)18(23)24/h4-7,9-11,19,24H,2-3,8H2,1H3
InChIKeyMKZGFWXOYWGVTN-UHFFFAOYSA-N
XLogP4.32
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 6-(difluoromethoxy)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)isoindol-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-indol-1-ylbutyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 56640861
2-(3-(5-fluoro-1H-indol-3-yl)-propyl)-6-methoxy-1,2,3,4-tetrahydro-isoquinoline
CID 9880984
2-[4-[3-(4-fluorophenyl)indol-1-yl]butyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 54753271
6,7-dimethoxy-2-[4-(3-phenylindol-1-yl)butyl]-3,4-dihydro-1H-isoquinoline
CID 56642431
2-[3-(5-fluoro-1H-indol-3-yl)propyl]-6-(111C)methoxy-3,4-dihydro-1H-isoquinoline
CID 24857858
2-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 72722778
3-Ethyl-9-methoxy-7-phenylpyrrolo[3,2-f]quinoline
CID 122192617
[1-[(2,4-Difluorophenyl)methyl]-3-(6-methoxypyridin-3-yl)-5-(trifluoromethoxy)indol-2-yl]methanol
CID 118967130
[3-(6-Methoxypyridin-3-yl)-5-(trifluoromethoxy)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]methanol
CID 118967132
6,7-Dimethoxy-4-[(1-methyl-2,3-dihydroindol-5-yl)methyl]isoquinoline
CID 74539566
2,3-Dimethoxy-9-(trifluoromethyl)-5,6-dihydroindolo[2,1-a]isoquinoline
CID 45483599
9-Methoxy-5-methylphenanthridin-5-ium-2-ol chloride
CID 71524095

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)isoindol-1-ol?
The IUPAC name of 6-(difluoromethoxy)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)isoindol-1-ol (CID 91209816) is 6-(difluoromethoxy)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)isoindol-1-ol.
What is the SMILES notation for 6-(difluoromethoxy)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)isoindol-1-ol?
The canonical SMILES for 6-(difluoromethoxy)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)isoindol-1-ol is CN1CCCc2cc(-n3cc4ccc(OC(F)F)cc4c3O)ccc21.
What is the InChIKey of 6-(difluoromethoxy)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)isoindol-1-ol?
The InChIKey is MKZGFWXOYWGVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c1-22-8-2-3-12-9-14(5-7-17(12)22)23-11-13-4-6-15(25-19(20)21)10-16(13)18(23)24/h4-7,9-11,19,24H,2-3,8H2,1H3.
What are the key properties of 6-(difluoromethoxy)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)isoindol-1-ol?
6-(difluoromethoxy)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)isoindol-1-ol has a molecular weight of 344.36 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)isoindol-1-ol is sourced from PubChem (CID 91209816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).