cyclopropyl-(4-hydroxy-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone

C26H26N2O3 — CID 135125713

IUPACcyclopropyl-(4-hydroxy-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone
SMILESO=C(C1CC1)N1CCC2(CC1)CC(O)c1cc(-c3cnc4ccccc4c3)ccc1O2
InChIInChI=1S/C26H26N2O3/c29-23-15-26(9-11-28(12-10-26)25(30)17-5-6-17)31-24-8-7-18(14-21(23)24)20-13-19-3-1-2-4-22(19)27-16-20/h1-4,7-8,13-14,16-17,23,29H,5-6,9-12,15H2
InChIKeyITFWXWJFVWIQGB-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.49
Rot. Bonds2

About cyclopropyl-(4-hydroxy-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone

cyclopropyl-(4-hydroxy-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone (PubChem CID 135125713) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is cyclopropyl-(4-hydroxy-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(4-hydroxy-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone
PubChem CID135125713
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Namecyclopropyl-(4-hydroxy-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone
SMILESO=C(C1CC1)N1CCC2(CC1)CC(O)c1cc(-c3cnc4ccccc4c3)ccc1O2
InChIInChI=1S/C26H26N2O3/c29-23-15-26(9-11-28(12-10-26)25(30)17-5-6-17)31-24-8-7-18(14-21(23)24)20-13-19-3-1-2-4-22(19)27-16-20/h1-4,7-8,13-14,16-17,23,29H,5-6,9-12,15H2
InChIKeyITFWXWJFVWIQGB-UHFFFAOYSA-N
XLogP4.49
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1'-propyl-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]
CID 135125977
N-[4-[(1R)-2-[(4R)-6-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]phenyl]cyclopropanecarboxamide
CID 92569824
6-fluoro-1'-[2-hydroxy-2-(4-phenylphenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 46955217
cyclohexyl(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone
CID 90565574
1'-(2-hydroxy-2-phenylethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4,6-diol
CID 46966057
1-[4-(4-quinolin-3-ylphenoxy)piperidin-1-yl]ethanone;hydrochloride
CID 156702413
N-cyclopropyl-2-[(4S)-1'-(oxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97401157
cyclopropyl-(6-pyridin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanone
CID 135141602
N,N-diethyl-2-[(4R)-1'-(oxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376622
6-chloro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-ol
CID 114714557
(4S)-6-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948203
(4R)-6-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948425

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(4-hydroxy-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone?
The IUPAC name of cyclopropyl-(4-hydroxy-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone (CID 135125713) is cyclopropyl-(4-hydroxy-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for cyclopropyl-(4-hydroxy-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for cyclopropyl-(4-hydroxy-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone is O=C(C1CC1)N1CCC2(CC1)CC(O)c1cc(-c3cnc4ccccc4c3)ccc1O2.
What is the InChIKey of cyclopropyl-(4-hydroxy-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone?
The InChIKey is ITFWXWJFVWIQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c29-23-15-26(9-11-28(12-10-26)25(30)17-5-6-17)31-24-8-7-18(14-21(23)24)20-13-19-3-1-2-4-22(19)27-16-20/h1-4,7-8,13-14,16-17,23,29H,5-6,9-12,15H2.
What are the key properties of cyclopropyl-(4-hydroxy-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone?
cyclopropyl-(4-hydroxy-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone has a molecular weight of 414.51 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(4-hydroxy-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 135125713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).