8-[2-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]quinoline

C23H21NO — CID 155923827

IUPAC8-[2-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]quinoline
SMILESCC(C)(C)Oc1ccc2ccccc2c1-c1cccc2cccnc12
InChIInChI=1S/C23H21NO/c1-23(2,3)25-20-14-13-16-8-4-5-11-18(16)21(20)19-12-6-9-17-10-7-15-24-22(17)19/h4-15H,1-3H3
InChIKeyUCMADNBAPOVVNJ-UHFFFAOYSA-N
MW327.43 g/mol
LogP6.23
Rot. Bonds2

About 8-[2-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]quinoline

8-[2-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]quinoline (PubChem CID 155923827) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is 8-[2-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]quinoline.

Molecular Properties

Compound Name8-[2-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]quinoline
PubChem CID155923827
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name8-[2-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]quinoline
SMILESCC(C)(C)Oc1ccc2ccccc2c1-c1cccc2cccnc12
InChIInChI=1S/C23H21NO/c1-23(2,3)25-20-14-13-16-8-4-5-11-18(16)21(20)19-12-6-9-17-10-7-15-24-22(17)19/h4-15H,1-3H3
InChIKeyUCMADNBAPOVVNJ-UHFFFAOYSA-N
XLogP6.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Papaverine
CID 4680
Papaverine Hydrochloride
CID 6084
Ethaverine
CID 3280
Ethaverine Hydrochloride
CID 5702159
6-Methoxyquinoline
CID 14860
4-(7-Methoxyquinolin-4-yl)-2-methylphenol
CID 135567383
2,3,8,9-Tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium chloride
CID 124193
7-Benzyloxyquinoline
CID 3035604
6-Methoxy-4-methylquinoline
CID 258761
4-(6-Methoxynaphthalen-2-yl)isoquinoline
CID 24754344
3-(6-Methoxynaphthalen-2-yl)-4-methylpyridine
CID 25034430
1-Benzyl-6-methoxy-4-methylquinolinium chloride
CID 2834440

Frequently Asked Questions

What is the IUPAC name of 8-[2-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]quinoline?
The IUPAC name of 8-[2-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]quinoline (CID 155923827) is 8-[2-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]quinoline.
What is the SMILES notation for 8-[2-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]quinoline?
The canonical SMILES for 8-[2-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]quinoline is CC(C)(C)Oc1ccc2ccccc2c1-c1cccc2cccnc12.
What is the InChIKey of 8-[2-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]quinoline?
The InChIKey is UCMADNBAPOVVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c1-23(2,3)25-20-14-13-16-8-4-5-11-18(16)21(20)19-12-6-9-17-10-7-15-24-22(17)19/h4-15H,1-3H3.
What are the key properties of 8-[2-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]quinoline?
8-[2-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]quinoline has a molecular weight of 327.43 g/mol, XLogP of 6.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]quinoline is sourced from PubChem (CID 155923827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).