2-butyl-7-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one;hydrochloride

C24H26ClNO2 — CID 19990539

IUPAC2-butyl-7-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
SMILESCCCCC1CCc2ccc(OCc3ccc4ccccc4n3)cc2C1=O.Cl
InChIInChI=1S/C24H25NO2.ClH/c1-2-3-6-19-10-9-17-12-14-21(15-22(17)24(19)26)27-16-20-13-11-18-7-4-5-8-23(18)25-20;/h4-5,7-8,11-15,19H,2-3,6,9-10,16H2,1H3;1H
InChIKeyNFPHEBWSIIIRIA-UHFFFAOYSA-N
MW395.93 g/mol
LogP6.17
Rot. Bonds6

About 2-butyl-7-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one;hydrochloride

2-butyl-7-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one;hydrochloride (PubChem CID 19990539) has the molecular formula C24H26ClNO2 and a molecular weight of 395.93 g/mol. Its IUPAC name is 2-butyl-7-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one;hydrochloride.

Molecular Properties

Compound Name2-butyl-7-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
PubChem CID19990539
Molecular FormulaC24H26ClNO2
Molecular Weight395.93 g/mol
Exact Mass395.17
IUPAC Name2-butyl-7-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
SMILESCCCCC1CCc2ccc(OCc3ccc4ccccc4n3)cc2C1=O.Cl
InChIInChI=1S/C24H25NO2.ClH/c1-2-3-6-19-10-9-17-12-14-21(15-22(17)24(19)26)27-16-20-13-11-18-7-4-5-8-23(18)25-20;/h4-5,7-8,11-15,19H,2-3,6,9-10,16H2,1H3;1H
InChIKeyNFPHEBWSIIIRIA-UHFFFAOYSA-N
XLogP6.17
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.93
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylmethylidene)-7-(quinolin-2-ylmethoxy)-3,4-dihydronaphthalen-1-one
CID 54014151
CID 162335511
CID 162335511
2,3-dibutyl-5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 70412599
2-[(3-hexylphenoxy)methyl]quinoline
CID 14349142
2-[(2E)-2-[7-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]ethyl]sulfanylacetic acid
CID 139921972
2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline
CID 18727386
2-(dodecoxymethyl)quinoline
CID 14754989
N-pentyl-4-(quinolin-2-ylmethoxy)aniline
CID 19801895
N-[6-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]hydroxylamine
CID 54120459
3,3-dimethyl-6-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-1H-indol-2-one
CID 22443419
2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline
CID 57057623
2-[[3-(1,3-dioxolan-2-yl)phenoxy]methyl]quinoline
CID 19864853

Frequently Asked Questions

What is the IUPAC name of 2-butyl-7-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
The IUPAC name of 2-butyl-7-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one;hydrochloride (CID 19990539) is 2-butyl-7-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one;hydrochloride.
What is the SMILES notation for 2-butyl-7-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
The canonical SMILES for 2-butyl-7-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one;hydrochloride is CCCCC1CCc2ccc(OCc3ccc4ccccc4n3)cc2C1=O.Cl.
What is the InChIKey of 2-butyl-7-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
The InChIKey is NFPHEBWSIIIRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2.ClH/c1-2-3-6-19-10-9-17-12-14-21(15-22(17)24(19)26)27-16-20-13-11-18-7-4-5-8-23(18)25-20;/h4-5,7-8,11-15,19H,2-3,6,9-10,16H2,1H3;1H.
What are the key properties of 2-butyl-7-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
2-butyl-7-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one;hydrochloride has a molecular weight of 395.93 g/mol, XLogP of 6.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-7-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one;hydrochloride is sourced from PubChem (CID 19990539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).