(1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol

C18H20N2O — CID 5399220

IUPAC(1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol
SMILESCc1nc2c(c3c1[nH]c1ccccc13)[C@@H](O)CC(C)(C)C2
InChIInChI=1S/C18H20N2O/c1-10-17-15(11-6-4-5-7-12(11)20-17)16-13(19-10)8-18(2,3)9-14(16)21/h4-7,14,20-21H,8-9H2,1-3H3/t14-/m0/s1
InChIKeyPBJUPZQSOBQERT-AWEZNQCLSA-N
MW280.37 g/mol
LogP4.03
Rot. Bonds

About (1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol

(1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol (PubChem CID 5399220) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol.

Molecular Properties

Compound Name(1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol
PubChem CID5399220
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol
SMILESCc1nc2c(c3c1[nH]c1ccccc13)[C@@H](O)CC(C)(C)C2
InChIInChI=1S/C18H20N2O/c1-10-17-15(11-6-4-5-7-12(11)20-17)16-13(19-10)8-18(2,3)9-14(16)21/h4-7,14,20-21H,8-9H2,1-3H3/t14-/m0/s1
InChIKeyPBJUPZQSOBQERT-AWEZNQCLSA-N
XLogP4.03
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol?
The IUPAC name of (1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol (CID 5399220) is (1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol.
What is the SMILES notation for (1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol?
The canonical SMILES for (1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol is Cc1nc2c(c3c1[nH]c1ccccc13)[C@@H](O)CC(C)(C)C2.
What is the InChIKey of (1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol?
The InChIKey is PBJUPZQSOBQERT-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N2O/c1-10-17-15(11-6-4-5-7-12(11)20-17)16-13(19-10)8-18(2,3)9-14(16)21/h4-7,14,20-21H,8-9H2,1-3H3/t14-/m0/s1.
What are the key properties of (1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol?
(1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol has a molecular weight of 280.37 g/mol, XLogP of 4.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol is sourced from PubChem (CID 5399220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).