4-[(3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]-2-fluorophenol

C24H23FN2O — CID 141211150

IUPAC4-[(3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]-2-fluorophenol
SMILESCC1(C)CCc2c(nc(Cc3ccc(O)c(F)c3)c3[nH]c4ccccc4c23)C1
InChIInChI=1S/C24H23FN2O/c1-24(2)10-9-16-20(13-24)26-19(12-14-7-8-21(28)17(25)11-14)23-22(16)15-5-3-4-6-18(15)27-23/h3-8,11,27-28H,9-10,12-13H2,1-2H3
InChIKeyQTAWOLLCZSXYOG-UHFFFAOYSA-N
MW374.46 g/mol
LogP5.67
Rot. Bonds2

About 4-[(3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]-2-fluorophenol

4-[(3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]-2-fluorophenol (PubChem CID 141211150) has the molecular formula C24H23FN2O and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-[(3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[(3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]-2-fluorophenol
PubChem CID141211150
Molecular FormulaC24H23FN2O
Molecular Weight374.46 g/mol
Exact Mass374.18
IUPAC Name4-[(3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]-2-fluorophenol
SMILESCC1(C)CCc2c(nc(Cc3ccc(O)c(F)c3)c3[nH]c4ccccc4c23)C1
InChIInChI=1S/C24H23FN2O/c1-24(2)10-9-16-20(13-24)26-19(12-14-7-8-21(28)17(25)11-14)23-22(16)15-5-3-4-6-18(15)27-23/h3-8,11,27-28H,9-10,12-13H2,1-2H3
InChIKeyQTAWOLLCZSXYOG-UHFFFAOYSA-N
XLogP5.67
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.46
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]-2-fluorophenol with MolForge

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Related Compounds

4-(2-phenyl-1H-indol-3-yl)phenol
CID 13896065
4-(3-phenyl-1H-indol-2-yl)phenol
CID 44405867
(1S,13R,14R)-24-methyl-4,24-diazahexacyclo[12.7.3.0^{1,13}.0^{3,11}.0^{5,10}.0^{16,21}]tetracosa-3(11),5(10),6,8,16(21),17,19-heptaen-19-ol
CID 16720553
3-((4aS,11aR)-2-Ethyl-1,2,3,4,5,6,11,11a-octahydro-pyrido[4,3-b]carbazol-4a-yl)-phenol
CID 9798314
4-[4-[[2-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethyl]amino]butyl]phenol
CID 9979079
(E)-N-[[1-(3-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3-hydroxyphenyl)prop-2-enamide
CID 130247534
Marinoquinoline D
CID 52952005
3,3,6-trimethyl-2,3,4,7-tetrahydro-1H-indolo[2,3-c]quinolin-1-ol
CID 5730028
(1S,13R)-22-methyl-10,22-diazahexacyclo[11.7.4.0^{1,13}.0^{3,11}.0^{4,9}.0^{14,19}]tetracosa-3(11),4(9),5,7,14(19),15,17-heptaen-16-ol
CID 44235261
3-(15-Methyl-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-12-yl)phenol
CID 44285299
4-[4-(1,3,4,9-Tetrahydro-beta-carbolin-2-yl)-butyl]-phenol
CID 44288771
4-[3-(1,3,4,9-Tetrahydro-beta-carbolin-2-yl)-propyl]-phenol
CID 44288778

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]-2-fluorophenol?
The IUPAC name of 4-[(3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]-2-fluorophenol (CID 141211150) is 4-[(3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]-2-fluorophenol.
What is the SMILES notation for 4-[(3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]-2-fluorophenol?
The canonical SMILES for 4-[(3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]-2-fluorophenol is CC1(C)CCc2c(nc(Cc3ccc(O)c(F)c3)c3[nH]c4ccccc4c23)C1.
What is the InChIKey of 4-[(3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]-2-fluorophenol?
The InChIKey is QTAWOLLCZSXYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O/c1-24(2)10-9-16-20(13-24)26-19(12-14-7-8-21(28)17(25)11-14)23-22(16)15-5-3-4-6-18(15)27-23/h3-8,11,27-28H,9-10,12-13H2,1-2H3.
What are the key properties of 4-[(3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]-2-fluorophenol?
4-[(3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]-2-fluorophenol has a molecular weight of 374.46 g/mol, XLogP of 5.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]-2-fluorophenol is sourced from PubChem (CID 141211150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).