6-(1-methylisoquinolin-6-yl)-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]

C26H30N2O — CID 135125978

IUPAC6-(1-methylisoquinolin-6-yl)-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESCCCN1CCC2(CCc3cc(-c4ccc5c(C)nccc5c4)ccc3O2)CC1
InChIInChI=1S/C26H30N2O/c1-3-14-28-15-11-26(12-16-28)10-8-23-18-21(5-7-25(23)29-26)20-4-6-24-19(2)27-13-9-22(24)17-20/h4-7,9,13,17-18H,3,8,10-12,14-16H2,1-2H3
InChIKeyHTVZDDDDFCMARE-UHFFFAOYSA-N
MW386.54 g/mol
LogP5.78
Rot. Bonds3

About 6-(1-methylisoquinolin-6-yl)-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]

6-(1-methylisoquinolin-6-yl)-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine] (PubChem CID 135125978) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is 6-(1-methylisoquinolin-6-yl)-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine].

Molecular Properties

Compound Name6-(1-methylisoquinolin-6-yl)-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]
PubChem CID135125978
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC Name6-(1-methylisoquinolin-6-yl)-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESCCCN1CCC2(CCc3cc(-c4ccc5c(C)nccc5c4)ccc3O2)CC1
InChIInChI=1S/C26H30N2O/c1-3-14-28-15-11-26(12-16-28)10-8-23-18-21(5-7-25(23)29-26)20-4-6-24-19(2)27-13-9-22(24)17-20/h4-7,9,13,17-18H,3,8,10-12,14-16H2,1-2H3
InChIKeyHTVZDDDDFCMARE-UHFFFAOYSA-N
XLogP5.78
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(1-methylisoquinolin-6-yl)-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine] with MolForge

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Related Compounds

1'-propyl-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]
CID 135125977
3-[6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]propanal
CID 135125829
3-(6-pyridin-4-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)propanal
CID 135124904
tert-butyl 6-(1-cyclopropylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 135124819
8-fluoro-N-methoxy-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
CID 135141581
6-[4-(methylsulfonylmethyl)phenyl]-1'-(pyridin-4-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 172843528
1'-(2,2-dimethylpropyl)-6-[4-(methylsulfonylmethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 172838421
N-methoxy-2-methyl-5-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)aniline
CID 143519080
2-(6-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)ethanamine
CID 82046802
1'-benzyl-6-[4-(methylsulfonylmethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 172686393
6-(1-methylbenzimidazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
CID 135125440
6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine];dihydrochloride
CID 135124849

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylisoquinolin-6-yl)-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]?
The IUPAC name of 6-(1-methylisoquinolin-6-yl)-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine] (CID 135125978) is 6-(1-methylisoquinolin-6-yl)-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine].
What is the SMILES notation for 6-(1-methylisoquinolin-6-yl)-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]?
The canonical SMILES for 6-(1-methylisoquinolin-6-yl)-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine] is CCCN1CCC2(CCc3cc(-c4ccc5c(C)nccc5c4)ccc3O2)CC1.
What is the InChIKey of 6-(1-methylisoquinolin-6-yl)-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]?
The InChIKey is HTVZDDDDFCMARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O/c1-3-14-28-15-11-26(12-16-28)10-8-23-18-21(5-7-25(23)29-26)20-4-6-24-19(2)27-13-9-22(24)17-20/h4-7,9,13,17-18H,3,8,10-12,14-16H2,1-2H3.
What are the key properties of 6-(1-methylisoquinolin-6-yl)-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]?
6-(1-methylisoquinolin-6-yl)-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine] has a molecular weight of 386.54 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylisoquinolin-6-yl)-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine] is sourced from PubChem (CID 135125978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).