1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]

C50H78N4O — CID 158707097

IUPAC1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]
SMILESCC(C)(C)CN1CCC2(CC1)CCN(C(C)(C)C)c1ccccc12.CC(C)(C)N1CCCc2cccc(O)c21.CC1(C)CCN(C(C)(C)C)c2ccccc21
InChIInChI=1S/C22H36N2.C15H23N.C13H19NO/c1-20(2,3)17-23-14-11-22(12-15-23)13-16-24(21(4,5)6)19-10-8-7-9-18(19)22;1-14(2,3)16-11-10-15(4,5)12-8-6-7-9-13(12)16;1-13(2,3)14-9-5-7-10-6-4-8-11(15)12(10)14/h7-10H,11-17H2,1-6H3;6-9H,10-11H2,1-5H3;4,6,8,15H,5,7,9H2,1-3H3
InChIKeyIIGAEKMZNWTHRR-UHFFFAOYSA-N
MW751.20 g/mol
LogP11.99
Rot. Bonds1

About 1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]

1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine] (PubChem CID 158707097) has the molecular formula C50H78N4O and a molecular weight of 751.20 g/mol. Its IUPAC name is 1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine].

Molecular Properties

Compound Name1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]
PubChem CID158707097
Molecular FormulaC50H78N4O
Molecular Weight751.20 g/mol
Exact Mass750.62
IUPAC Name1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]
SMILESCC(C)(C)CN1CCC2(CC1)CCN(C(C)(C)C)c1ccccc12.CC(C)(C)N1CCCc2cccc(O)c21.CC1(C)CCN(C(C)(C)C)c2ccccc21
InChIInChI=1S/C22H36N2.C15H23N.C13H19NO/c1-20(2,3)17-23-14-11-22(12-15-23)13-16-24(21(4,5)6)19-10-8-7-9-18(19)22;1-14(2,3)16-11-10-15(4,5)12-8-6-7-9-13(12)16;1-13(2,3)14-9-5-7-10-6-4-8-11(15)12(10)14/h7-10H,11-17H2,1-6H3;6-9H,10-11H2,1-5H3;4,6,8,15H,5,7,9H2,1-3H3
InChIKeyIIGAEKMZNWTHRR-UHFFFAOYSA-N
XLogP11.99
TPSA33.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.20
LogP ≤ 511.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(7R,8R,9aR)-7,8-dimethyl-2-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol
CID 16094419
(2S,4S)-4-(4-fluorophenyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinolin-8-ol
CID 154715868
(2S,4S)-4-methyl-2,4-diphenyl-2,3-dihydro-1H-quinolin-8-ol
CID 101551935
(2S,4S)-4-methyl-2-(2-methylphenyl)-4-phenyl-2,3-dihydro-1H-quinolin-8-ol
CID 101551941
(2S,4S)-4-methyl-4-(4-methylphenyl)-2-phenyl-2,3-dihydro-1H-quinolin-8-ol
CID 101551943
(2S,4S)-4-methyl-2-(3-methylphenyl)-4-phenyl-2,3-dihydro-1H-quinolin-8-ol
CID 154717389
(2S,4S)-2-cyclohexyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-8-ol
CID 154717668
(2S,4S)-4-methyl-2-(4-methylphenyl)-4-phenyl-2,3-dihydro-1H-quinolin-8-ol
CID 154718107
(2S,4S)-2-(4-fluorophenyl)-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-8-ol
CID 101551940
2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperazin-1-yl]phenol
CID 71853602
1-benzyl-3,4-dihydro-2H-quinolin-8-ol
CID 15631330
3-(7,8-dimethyl-2-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl)phenol
CID 16071758

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]?
The IUPAC name of 1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine] (CID 158707097) is 1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine].
What is the SMILES notation for 1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]?
The canonical SMILES for 1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine] is CC(C)(C)CN1CCC2(CC1)CCN(C(C)(C)C)c1ccccc12.CC(C)(C)N1CCCc2cccc(O)c21.CC1(C)CCN(C(C)(C)C)c2ccccc21.
What is the InChIKey of 1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]?
The InChIKey is IIGAEKMZNWTHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2.C15H23N.C13H19NO/c1-20(2,3)17-23-14-11-22(12-15-23)13-16-24(21(4,5)6)19-10-8-7-9-18(19)22;1-14(2,3)16-11-10-15(4,5)12-8-6-7-9-13(12)16;1-13(2,3)14-9-5-7-10-6-4-8-11(15)12(10)14/h7-10H,11-17H2,1-6H3;6-9H,10-11H2,1-5H3;4,6,8,15H,5,7,9H2,1-3H3.
What are the key properties of 1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]?
1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine] has a molecular weight of 751.20 g/mol, XLogP of 11.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine] is sourced from PubChem (CID 158707097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).