2-(cyclopentylmethylidene)-7-(quinolin-2-ylmethoxy)-3,4-dihydronaphthalen-1-one

C26H25NO2 — CID 54014151

IUPAC2-(cyclopentylmethylidene)-7-(quinolin-2-ylmethoxy)-3,4-dihydronaphthalen-1-one
SMILESO=C1C(=CC2CCCC2)CCc2ccc(OCc3ccc4ccccc4n3)cc21
InChIInChI=1S/C26H25NO2/c28-26-21(15-18-5-1-2-6-18)10-9-19-12-14-23(16-24(19)26)29-17-22-13-11-20-7-3-4-8-25(20)27-22/h3-4,7-8,11-16,18H,1-2,5-6,9-10,17H2
InChIKeyKULIAADZERQIJY-UHFFFAOYSA-N
MW383.49 g/mol
LogP6.06
Rot. Bonds4

About 2-(cyclopentylmethylidene)-7-(quinolin-2-ylmethoxy)-3,4-dihydronaphthalen-1-one

2-(cyclopentylmethylidene)-7-(quinolin-2-ylmethoxy)-3,4-dihydronaphthalen-1-one (PubChem CID 54014151) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-(cyclopentylmethylidene)-7-(quinolin-2-ylmethoxy)-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name2-(cyclopentylmethylidene)-7-(quinolin-2-ylmethoxy)-3,4-dihydronaphthalen-1-one
PubChem CID54014151
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name2-(cyclopentylmethylidene)-7-(quinolin-2-ylmethoxy)-3,4-dihydronaphthalen-1-one
SMILESO=C1C(=CC2CCCC2)CCc2ccc(OCc3ccc4ccccc4n3)cc21
InChIInChI=1S/C26H25NO2/c28-26-21(15-18-5-1-2-6-18)10-9-19-12-14-23(16-24(19)26)29-17-22-13-11-20-7-3-4-8-25(20)27-22/h3-4,7-8,11-16,18H,1-2,5-6,9-10,17H2
InChIKeyKULIAADZERQIJY-UHFFFAOYSA-N
XLogP6.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-butyl-7-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
CID 19990539
2-[(2E)-2-[7-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]ethyl]sulfanylacetic acid
CID 139921972
2-(cyclobutylmethylidene)-6-phenylmethoxy-3,4-dihydronaphthalen-1-one
CID 170649253
N-[6-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]hydroxylamine
CID 54120459
7-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 19369485
cyclopropyl 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 123636048
3-(2-ethoxypropylidene)-6-(quinolin-2-ylmethoxy)chromen-4-one
CID 54129454
methyl 3-[[2-imino-6-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-yl]oxy]propanoate
CID 67739523
2-[[3-(1,3-dioxolan-2-yl)phenoxy]methyl]quinoline
CID 19864853
2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid
CID 110168584
(2E)-2-[cycloheptyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid
CID 10765188
methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate
CID 23224644

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylidene)-7-(quinolin-2-ylmethoxy)-3,4-dihydronaphthalen-1-one?
The IUPAC name of 2-(cyclopentylmethylidene)-7-(quinolin-2-ylmethoxy)-3,4-dihydronaphthalen-1-one (CID 54014151) is 2-(cyclopentylmethylidene)-7-(quinolin-2-ylmethoxy)-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for 2-(cyclopentylmethylidene)-7-(quinolin-2-ylmethoxy)-3,4-dihydronaphthalen-1-one?
The canonical SMILES for 2-(cyclopentylmethylidene)-7-(quinolin-2-ylmethoxy)-3,4-dihydronaphthalen-1-one is O=C1C(=CC2CCCC2)CCc2ccc(OCc3ccc4ccccc4n3)cc21.
What is the InChIKey of 2-(cyclopentylmethylidene)-7-(quinolin-2-ylmethoxy)-3,4-dihydronaphthalen-1-one?
The InChIKey is KULIAADZERQIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO2/c28-26-21(15-18-5-1-2-6-18)10-9-19-12-14-23(16-24(19)26)29-17-22-13-11-20-7-3-4-8-25(20)27-22/h3-4,7-8,11-16,18H,1-2,5-6,9-10,17H2.
What are the key properties of 2-(cyclopentylmethylidene)-7-(quinolin-2-ylmethoxy)-3,4-dihydronaphthalen-1-one?
2-(cyclopentylmethylidene)-7-(quinolin-2-ylmethoxy)-3,4-dihydronaphthalen-1-one has a molecular weight of 383.49 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylidene)-7-(quinolin-2-ylmethoxy)-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 54014151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).