7-hydroxy-4-propan-2-ylquinoline-3-carbonitrile

C13H12N2O — CID 136866641

IUPAC7-hydroxy-4-propan-2-ylquinoline-3-carbonitrile
SMILESCC(C)c1c(C#N)cnc2cc(O)ccc12
InChIInChI=1S/C13H12N2O/c1-8(2)13-9(6-14)7-15-12-5-10(16)3-4-11(12)13/h3-5,7-8,16H,1-2H3
InChIKeyMOGKOMHYGYQVKR-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.94
Rot. Bonds1

About 7-hydroxy-4-propan-2-ylquinoline-3-carbonitrile

7-hydroxy-4-propan-2-ylquinoline-3-carbonitrile (PubChem CID 136866641) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 7-hydroxy-4-propan-2-ylquinoline-3-carbonitrile.

Molecular Properties

Compound Name7-hydroxy-4-propan-2-ylquinoline-3-carbonitrile
PubChem CID136866641
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name7-hydroxy-4-propan-2-ylquinoline-3-carbonitrile
SMILESCC(C)c1c(C#N)cnc2cc(O)ccc12
InChIInChI=1S/C13H12N2O/c1-8(2)13-9(6-14)7-15-12-5-10(16)3-4-11(12)13/h3-5,7-8,16H,1-2H3
InChIKeyMOGKOMHYGYQVKR-UHFFFAOYSA-N
XLogP2.94
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-propan-2-ylquinoline-3-carbonitrile?
The IUPAC name of 7-hydroxy-4-propan-2-ylquinoline-3-carbonitrile (CID 136866641) is 7-hydroxy-4-propan-2-ylquinoline-3-carbonitrile.
What is the SMILES notation for 7-hydroxy-4-propan-2-ylquinoline-3-carbonitrile?
The canonical SMILES for 7-hydroxy-4-propan-2-ylquinoline-3-carbonitrile is CC(C)c1c(C#N)cnc2cc(O)ccc12.
What is the InChIKey of 7-hydroxy-4-propan-2-ylquinoline-3-carbonitrile?
The InChIKey is MOGKOMHYGYQVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-8(2)13-9(6-14)7-15-12-5-10(16)3-4-11(12)13/h3-5,7-8,16H,1-2H3.
What are the key properties of 7-hydroxy-4-propan-2-ylquinoline-3-carbonitrile?
7-hydroxy-4-propan-2-ylquinoline-3-carbonitrile has a molecular weight of 212.25 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-propan-2-ylquinoline-3-carbonitrile is sourced from PubChem (CID 136866641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).