[1-[cyclopropyl(methyl)amino]isoquinolin-3-yl]methanol

C14H16N2O — CID 61256655

IUPAC[1-[cyclopropyl(methyl)amino]isoquinolin-3-yl]methanol
SMILESCN(c1nc(CO)cc2ccccc12)C1CC1
InChIInChI=1S/C14H16N2O/c1-16(12-6-7-12)14-13-5-3-2-4-10(13)8-11(9-17)15-14/h2-5,8,12,17H,6-7,9H2,1H3
InChIKeyBVUCSWWIZPZTDW-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.33
Rot. Bonds3

About [1-[cyclopropyl(methyl)amino]isoquinolin-3-yl]methanol

[1-[cyclopropyl(methyl)amino]isoquinolin-3-yl]methanol (PubChem CID 61256655) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is [1-[cyclopropyl(methyl)amino]isoquinolin-3-yl]methanol.

Molecular Properties

Compound Name[1-[cyclopropyl(methyl)amino]isoquinolin-3-yl]methanol
PubChem CID61256655
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name[1-[cyclopropyl(methyl)amino]isoquinolin-3-yl]methanol
SMILESCN(c1nc(CO)cc2ccccc12)C1CC1
InChIInChI=1S/C14H16N2O/c1-16(12-6-7-12)14-13-5-3-2-4-10(13)8-11(9-17)15-14/h2-5,8,12,17H,6-7,9H2,1H3
InChIKeyBVUCSWWIZPZTDW-UHFFFAOYSA-N
XLogP2.33
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[cyclopropyl(methyl)amino]isoquinolin-3-yl]methanol?
The IUPAC name of [1-[cyclopropyl(methyl)amino]isoquinolin-3-yl]methanol (CID 61256655) is [1-[cyclopropyl(methyl)amino]isoquinolin-3-yl]methanol.
What is the SMILES notation for [1-[cyclopropyl(methyl)amino]isoquinolin-3-yl]methanol?
The canonical SMILES for [1-[cyclopropyl(methyl)amino]isoquinolin-3-yl]methanol is CN(c1nc(CO)cc2ccccc12)C1CC1.
What is the InChIKey of [1-[cyclopropyl(methyl)amino]isoquinolin-3-yl]methanol?
The InChIKey is BVUCSWWIZPZTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-16(12-6-7-12)14-13-5-3-2-4-10(13)8-11(9-17)15-14/h2-5,8,12,17H,6-7,9H2,1H3.
What are the key properties of [1-[cyclopropyl(methyl)amino]isoquinolin-3-yl]methanol?
[1-[cyclopropyl(methyl)amino]isoquinolin-3-yl]methanol has a molecular weight of 228.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[cyclopropyl(methyl)amino]isoquinolin-3-yl]methanol is sourced from PubChem (CID 61256655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).