(3R,4S)-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol

C21H24N2O — CID 53323656

IUPAC(3R,4S)-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
SMILESCc1cc(-c2cccc3cc[nH]c23)cc2c1NC(C)(C)[C@H](O)[C@H]2C
InChIInChI=1S/C21H24N2O/c1-12-10-15(16-7-5-6-14-8-9-22-19(14)16)11-17-13(2)20(24)21(3,4)23-18(12)17/h5-11,13,20,22-24H,1-4H3/t13-,20+/m0/s1
InChIKeyKBVAAPQYHHBNTR-RNODOKPDSA-N
MW320.44 g/mol
LogP4.81
Rot. Bonds1

About (3R,4S)-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol

(3R,4S)-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol (PubChem CID 53323656) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is (3R,4S)-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol.

Molecular Properties

Compound Name(3R,4S)-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
PubChem CID53323656
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name(3R,4S)-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
SMILESCc1cc(-c2cccc3cc[nH]c23)cc2c1NC(C)(C)[C@H](O)[C@H]2C
InChIInChI=1S/C21H24N2O/c1-12-10-15(16-7-5-6-14-8-9-22-19(14)16)11-17-13(2)20(24)21(3,4)23-18(12)17/h5-11,13,20,22-24H,1-4H3/t13-,20+/m0/s1
InChIKeyKBVAAPQYHHBNTR-RNODOKPDSA-N
XLogP4.81
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol?
The IUPAC name of (3R,4S)-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol (CID 53323656) is (3R,4S)-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol.
What is the SMILES notation for (3R,4S)-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol?
The canonical SMILES for (3R,4S)-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol is Cc1cc(-c2cccc3cc[nH]c23)cc2c1NC(C)(C)[C@H](O)[C@H]2C.
What is the InChIKey of (3R,4S)-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol?
The InChIKey is KBVAAPQYHHBNTR-RNODOKPDSA-N. The full InChI is InChI=1S/C21H24N2O/c1-12-10-15(16-7-5-6-14-8-9-22-19(14)16)11-17-13(2)20(24)21(3,4)23-18(12)17/h5-11,13,20,22-24H,1-4H3/t13-,20+/m0/s1.
What are the key properties of (3R,4S)-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol?
(3R,4S)-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol has a molecular weight of 320.44 g/mol, XLogP of 4.81, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol is sourced from PubChem (CID 53323656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).