1'-propyl-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]

C25H28N2O — CID 135125977

IUPAC1'-propyl-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESCCCN1CCC2(CCc3cc(-c4cnc5ccccc5c4)ccc3O2)CC1
InChIInChI=1S/C25H28N2O/c1-2-13-27-14-11-25(12-15-27)10-9-21-16-19(7-8-24(21)28-25)22-17-20-5-3-4-6-23(20)26-18-22/h3-8,16-18H,2,9-15H2,1H3
InChIKeyRFLRSLQQXSQMDO-UHFFFAOYSA-N
MW372.51 g/mol
LogP5.47
Rot. Bonds3

About 1'-propyl-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]

1'-propyl-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine] (PubChem CID 135125977) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is 1'-propyl-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine].

Molecular Properties

Compound Name1'-propyl-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]
PubChem CID135125977
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name1'-propyl-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESCCCN1CCC2(CCc3cc(-c4cnc5ccccc5c4)ccc3O2)CC1
InChIInChI=1S/C25H28N2O/c1-2-13-27-14-11-25(12-15-27)10-9-21-16-19(7-8-24(21)28-25)22-17-20-5-3-4-6-23(20)26-18-22/h3-8,16-18H,2,9-15H2,1H3
InChIKeyRFLRSLQQXSQMDO-UHFFFAOYSA-N
XLogP5.47
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-propyl-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]?
The IUPAC name of 1'-propyl-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine] (CID 135125977) is 1'-propyl-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine].
What is the SMILES notation for 1'-propyl-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]?
The canonical SMILES for 1'-propyl-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine] is CCCN1CCC2(CCc3cc(-c4cnc5ccccc5c4)ccc3O2)CC1.
What is the InChIKey of 1'-propyl-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]?
The InChIKey is RFLRSLQQXSQMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-2-13-27-14-11-25(12-15-27)10-9-21-16-19(7-8-24(21)28-25)22-17-20-5-3-4-6-23(20)26-18-22/h3-8,16-18H,2,9-15H2,1H3.
What are the key properties of 1'-propyl-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]?
1'-propyl-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine] has a molecular weight of 372.51 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-propyl-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine] is sourced from PubChem (CID 135125977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).