1-[hydroxy(quinolin-4-yl)methyl]-3-methylcyclopentane-1-carbonitrile

C17H18N2O — CID 79136284

IUPAC1-[hydroxy(quinolin-4-yl)methyl]-3-methylcyclopentane-1-carbonitrile
SMILESCC1CCC(C#N)(C(O)c2ccnc3ccccc23)C1
InChIInChI=1S/C17H18N2O/c1-12-6-8-17(10-12,11-18)16(20)14-7-9-19-15-5-3-2-4-13(14)15/h2-5,7,9,12,16,20H,6,8,10H2,1H3
InChIKeyPZOGIHAWFCFDJA-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.60
Rot. Bonds2

About 1-[hydroxy(quinolin-4-yl)methyl]-3-methylcyclopentane-1-carbonitrile

1-[hydroxy(quinolin-4-yl)methyl]-3-methylcyclopentane-1-carbonitrile (PubChem CID 79136284) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[hydroxy(quinolin-4-yl)methyl]-3-methylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[hydroxy(quinolin-4-yl)methyl]-3-methylcyclopentane-1-carbonitrile
PubChem CID79136284
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-[hydroxy(quinolin-4-yl)methyl]-3-methylcyclopentane-1-carbonitrile
SMILESCC1CCC(C#N)(C(O)c2ccnc3ccccc23)C1
InChIInChI=1S/C17H18N2O/c1-12-6-8-17(10-12,11-18)16(20)14-7-9-19-15-5-3-2-4-13(14)15/h2-5,7,9,12,16,20H,6,8,10H2,1H3
InChIKeyPZOGIHAWFCFDJA-UHFFFAOYSA-N
XLogP3.60
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy(quinolin-4-yl)methyl]-3-methylcyclopentane-1-carbonitrile?
The IUPAC name of 1-[hydroxy(quinolin-4-yl)methyl]-3-methylcyclopentane-1-carbonitrile (CID 79136284) is 1-[hydroxy(quinolin-4-yl)methyl]-3-methylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[hydroxy(quinolin-4-yl)methyl]-3-methylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-[hydroxy(quinolin-4-yl)methyl]-3-methylcyclopentane-1-carbonitrile is CC1CCC(C#N)(C(O)c2ccnc3ccccc23)C1.
What is the InChIKey of 1-[hydroxy(quinolin-4-yl)methyl]-3-methylcyclopentane-1-carbonitrile?
The InChIKey is PZOGIHAWFCFDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-6-8-17(10-12,11-18)16(20)14-7-9-19-15-5-3-2-4-13(14)15/h2-5,7,9,12,16,20H,6,8,10H2,1H3.
What are the key properties of 1-[hydroxy(quinolin-4-yl)methyl]-3-methylcyclopentane-1-carbonitrile?
1-[hydroxy(quinolin-4-yl)methyl]-3-methylcyclopentane-1-carbonitrile has a molecular weight of 266.34 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy(quinolin-4-yl)methyl]-3-methylcyclopentane-1-carbonitrile is sourced from PubChem (CID 79136284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).