cyclohexyl-[2-[(3-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone

C23H27NO2 — CID 91601495

IUPACcyclohexyl-[2-[(3-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1c2ccccc2CCC1Cc1cccc(O)c1
InChIInChI=1S/C23H27NO2/c25-21-11-6-7-17(16-21)15-20-14-13-18-8-4-5-12-22(18)24(20)23(26)19-9-2-1-3-10-19/h4-8,11-12,16,19-20,25H,1-3,9-10,13-15H2
InChIKeyDJZMFMZSFWLKMW-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.86
Rot. Bonds3

About cyclohexyl-[2-[(3-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone

cyclohexyl-[2-[(3-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 91601495) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is cyclohexyl-[2-[(3-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[2-[(3-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID91601495
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Namecyclohexyl-[2-[(3-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1c2ccccc2CCC1Cc1cccc(O)c1
InChIInChI=1S/C23H27NO2/c25-21-11-6-7-17(16-21)15-20-14-13-18-8-4-5-12-22(18)24(20)23(26)19-9-2-1-3-10-19/h4-8,11-12,16,19-20,25H,1-3,9-10,13-15H2
InChIKeyDJZMFMZSFWLKMW-UHFFFAOYSA-N
XLogP4.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[2-[(3-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of cyclohexyl-[2-[(3-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 91601495) is cyclohexyl-[2-[(3-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[2-[(3-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[2-[(3-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone is O=C(C1CCCCC1)N1c2ccccc2CCC1Cc1cccc(O)c1.
What is the InChIKey of cyclohexyl-[2-[(3-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is DJZMFMZSFWLKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c25-21-11-6-7-17(16-21)15-20-14-13-18-8-4-5-12-22(18)24(20)23(26)19-9-2-1-3-10-19/h4-8,11-12,16,19-20,25H,1-3,9-10,13-15H2.
What are the key properties of cyclohexyl-[2-[(3-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone?
cyclohexyl-[2-[(3-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 349.47 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[2-[(3-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 91601495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).