2,3-dibutyl-5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one

C28H33NO2 — CID 70412599

IUPAC2,3-dibutyl-5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESCCCCC1Cc2c(OCc3ccc4ccccc4n3)cccc2C(=O)C1CCCC
InChIInChI=1S/C28H33NO2/c1-3-5-10-21-18-25-24(28(30)23(21)12-6-4-2)13-9-15-27(25)31-19-22-17-16-20-11-7-8-14-26(20)29-22/h7-9,11,13-17,21,23H,3-6,10,12,18-19H2,1-2H3
InChIKeyFSUWCUZGHVWTJR-UHFFFAOYSA-N
MW415.58 g/mol
LogP7.17
Rot. Bonds9

About 2,3-dibutyl-5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one

2,3-dibutyl-5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 70412599) has the molecular formula C28H33NO2 and a molecular weight of 415.58 g/mol. Its IUPAC name is 2,3-dibutyl-5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2,3-dibutyl-5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID70412599
Molecular FormulaC28H33NO2
Molecular Weight415.58 g/mol
Exact Mass415.25
IUPAC Name2,3-dibutyl-5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESCCCCC1Cc2c(OCc3ccc4ccccc4n3)cccc2C(=O)C1CCCC
InChIInChI=1S/C28H33NO2/c1-3-5-10-21-18-25-24(28(30)23(21)12-6-4-2)13-9-15-27(25)31-19-22-17-16-20-11-7-8-14-26(20)29-22/h7-9,11,13-17,21,23H,3-6,10,12,18-19H2,1-2H3
InChIKeyFSUWCUZGHVWTJR-UHFFFAOYSA-N
XLogP7.17
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3-dibutyl-5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one with MolForge

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Related Compounds

2-butyl-7-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
CID 19990539
2,2-dibutyl-8-methyl-5-(quinolin-2-ylmethoxy)-3,4-dihydronaphthalen-1-one;hydrochloride
CID 19990540
2-(dodecoxymethyl)quinoline
CID 14754989
(3E)-3-[5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]propanoic acid
CID 139922083
2-(quinolin-2-ylmethoxy)benzoate
CID 6919840
methyl 5-amino-5-oxo-4-[3-oxo-7-(quinolin-2-ylmethoxy)-1H-isoindol-2-yl]pentanoate
CID 67334661
2-[(3-hexylphenoxy)methyl]quinoline
CID 14349142
1,1-dioxo-2-[2-(quinolin-2-ylmethoxy)phenyl]-1,2,4-thiadiazetidin-3-one
CID 54453783
CID 162335511
CID 162335511
4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid
CID 5074844
2-[2-butyl-1-[4-(quinolin-2-ylmethoxy)phenyl]hexoxy]isoindole-1,3-dione
CID 11800504
2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline
CID 18727386

Frequently Asked Questions

What is the IUPAC name of 2,3-dibutyl-5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2,3-dibutyl-5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one (CID 70412599) is 2,3-dibutyl-5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2,3-dibutyl-5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2,3-dibutyl-5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one is CCCCC1Cc2c(OCc3ccc4ccccc4n3)cccc2C(=O)C1CCCC.
What is the InChIKey of 2,3-dibutyl-5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is FSUWCUZGHVWTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO2/c1-3-5-10-21-18-25-24(28(30)23(21)12-6-4-2)13-9-15-27(25)31-19-22-17-16-20-11-7-8-14-26(20)29-22/h7-9,11,13-17,21,23H,3-6,10,12,18-19H2,1-2H3.
What are the key properties of 2,3-dibutyl-5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one?
2,3-dibutyl-5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 415.58 g/mol, XLogP of 7.17, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibutyl-5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 70412599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).