(3R,4S)-5-ethyl-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol

C23H28N2O — CID 53322301

IUPAC(3R,4S)-5-ethyl-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
SMILESCCc1c(-c2cccc3cc[nH]c23)cc(C)c2c1[C@H](C)[C@@H](O)C(C)(C)N2
InChIInChI=1S/C23H28N2O/c1-6-16-18(17-9-7-8-15-10-11-24-21(15)17)12-13(2)20-19(16)14(3)22(26)23(4,5)25-20/h7-12,14,22,24-26H,6H2,1-5H3/t14-,22+/m0/s1
InChIKeyHGJPZVDXODRCRP-RCDICMHDSA-N
MW348.49 g/mol
LogP5.37
Rot. Bonds2

About (3R,4S)-5-ethyl-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol

(3R,4S)-5-ethyl-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol (PubChem CID 53322301) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is (3R,4S)-5-ethyl-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol.

Molecular Properties

Compound Name(3R,4S)-5-ethyl-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
PubChem CID53322301
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name(3R,4S)-5-ethyl-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
SMILESCCc1c(-c2cccc3cc[nH]c23)cc(C)c2c1[C@H](C)[C@@H](O)C(C)(C)N2
InChIInChI=1S/C23H28N2O/c1-6-16-18(17-9-7-8-15-10-11-24-21(15)17)12-13(2)20-19(16)14(3)22(26)23(4,5)25-20/h7-12,14,22,24-26H,6H2,1-5H3/t14-,22+/m0/s1
InChIKeyHGJPZVDXODRCRP-RCDICMHDSA-N
XLogP5.37
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-5-ethyl-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol?
The IUPAC name of (3R,4S)-5-ethyl-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol (CID 53322301) is (3R,4S)-5-ethyl-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)-5-ethyl-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol?
The canonical SMILES for (3R,4S)-5-ethyl-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol is CCc1c(-c2cccc3cc[nH]c23)cc(C)c2c1[C@H](C)[C@@H](O)C(C)(C)N2.
What is the InChIKey of (3R,4S)-5-ethyl-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol?
The InChIKey is HGJPZVDXODRCRP-RCDICMHDSA-N. The full InChI is InChI=1S/C23H28N2O/c1-6-16-18(17-9-7-8-15-10-11-24-21(15)17)12-13(2)20-19(16)14(3)22(26)23(4,5)25-20/h7-12,14,22,24-26H,6H2,1-5H3/t14-,22+/m0/s1.
What are the key properties of (3R,4S)-5-ethyl-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol?
(3R,4S)-5-ethyl-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol has a molecular weight of 348.49 g/mol, XLogP of 5.37, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-5-ethyl-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol is sourced from PubChem (CID 53322301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).