(1S)-6-[(3-fluoro-4-hydroxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol

C24H23FN2O2 — CID 68716153

IUPAC(1S)-6-[(3-fluoro-4-hydroxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol
SMILESCC1(C)Cc2nc(Cc3ccc(O)c(F)c3)c3[nH]c4ccccc4c3c2[C@@H](O)C1
InChIInChI=1S/C24H23FN2O2/c1-24(2)11-18-22(20(29)12-24)21-14-5-3-4-6-16(14)27-23(21)17(26-18)10-13-7-8-19(28)15(25)9-13/h3-9,20,27-29H,10-12H2,1-2H3/t20-/m0/s1
InChIKeyXRSJQPZKMTYSGI-FQEVSTJZSA-N
MW390.46 g/mol
LogP5.16
Rot. Bonds2

About (1S)-6-[(3-fluoro-4-hydroxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol

(1S)-6-[(3-fluoro-4-hydroxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol (PubChem CID 68716153) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is (1S)-6-[(3-fluoro-4-hydroxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol.

Molecular Properties

Compound Name(1S)-6-[(3-fluoro-4-hydroxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol
PubChem CID68716153
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name(1S)-6-[(3-fluoro-4-hydroxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol
SMILESCC1(C)Cc2nc(Cc3ccc(O)c(F)c3)c3[nH]c4ccccc4c3c2[C@@H](O)C1
InChIInChI=1S/C24H23FN2O2/c1-24(2)11-18-22(20(29)12-24)21-14-5-3-4-6-16(14)27-23(21)17(26-18)10-13-7-8-19(28)15(25)9-13/h3-9,20,27-29H,10-12H2,1-2H3/t20-/m0/s1
InChIKeyXRSJQPZKMTYSGI-FQEVSTJZSA-N
XLogP5.16
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-6-[(3-fluoro-4-hydroxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol?
The IUPAC name of (1S)-6-[(3-fluoro-4-hydroxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol (CID 68716153) is (1S)-6-[(3-fluoro-4-hydroxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol.
What is the SMILES notation for (1S)-6-[(3-fluoro-4-hydroxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol?
The canonical SMILES for (1S)-6-[(3-fluoro-4-hydroxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol is CC1(C)Cc2nc(Cc3ccc(O)c(F)c3)c3[nH]c4ccccc4c3c2[C@@H](O)C1.
What is the InChIKey of (1S)-6-[(3-fluoro-4-hydroxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol?
The InChIKey is XRSJQPZKMTYSGI-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-24(2)11-18-22(20(29)12-24)21-14-5-3-4-6-16(14)27-23(21)17(26-18)10-13-7-8-19(28)15(25)9-13/h3-9,20,27-29H,10-12H2,1-2H3/t20-/m0/s1.
What are the key properties of (1S)-6-[(3-fluoro-4-hydroxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol?
(1S)-6-[(3-fluoro-4-hydroxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol has a molecular weight of 390.46 g/mol, XLogP of 5.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-[(3-fluoro-4-hydroxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol is sourced from PubChem (CID 68716153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).