1-(cyclopropylmethoxy)isoquinoline-3-carboxylic acid

C14H13NO3 — CID 43343317

IUPAC1-(cyclopropylmethoxy)isoquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2ccccc2c(OCC2CC2)n1
InChIInChI=1S/C14H13NO3/c16-14(17)12-7-10-3-1-2-4-11(10)13(15-12)18-8-9-5-6-9/h1-4,7,9H,5-6,8H2,(H,16,17)
InChIKeyHZNBOZWCGLPIAE-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.72
Rot. Bonds4

About 1-(cyclopropylmethoxy)isoquinoline-3-carboxylic acid

1-(cyclopropylmethoxy)isoquinoline-3-carboxylic acid (PubChem CID 43343317) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)isoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)isoquinoline-3-carboxylic acid
PubChem CID43343317
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name1-(cyclopropylmethoxy)isoquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2ccccc2c(OCC2CC2)n1
InChIInChI=1S/C14H13NO3/c16-14(17)12-7-10-3-1-2-4-11(10)13(15-12)18-8-9-5-6-9/h1-4,7,9H,5-6,8H2,(H,16,17)
InChIKeyHZNBOZWCGLPIAE-UHFFFAOYSA-N
XLogP2.72
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(cyclopropylmethoxy)isoquinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(chloromethyl)-1-(cyclopropylmethoxy)isoquinoline
CID 61268229
1-(4-methylpentoxy)isoquinoline-3-carboxylic acid
CID 43343320
1-[2-(dimethylamino)-2-methylpropoxy]isoquinoline-3-carboxylic acid
CID 79672338
1-[3-(dimethylamino)propoxy]isoquinoline-3-carboxylic acid
CID 61103650
5-amino-6-(cyclopropylmethoxy)pyridine-2-carboxylic acid
CID 114408700
2H-benzotriazol-5-yl-[(2R,6S)-9-[1-(cyclopropylmethoxy)isoquinoline-3-carbonyl]-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl]methanone
CID 155767037
1-[2-(diethylamino)ethoxy]isoquinoline-3-carboxylic acid
CID 61102288
N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]ethanamine
CID 62291335
1-propan-2-yloxyisoquinoline-3-carboxylic acid
CID 43166463
N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]cyclopropanamine
CID 62291500
5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid
CID 86682331
4-(cyclopropylmethoxy)quinazolin-2-amine
CID 80866857

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)isoquinoline-3-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethoxy)isoquinoline-3-carboxylic acid (CID 43343317) is 1-(cyclopropylmethoxy)isoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethoxy)isoquinoline-3-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethoxy)isoquinoline-3-carboxylic acid is O=C(O)c1cc2ccccc2c(OCC2CC2)n1.
What is the InChIKey of 1-(cyclopropylmethoxy)isoquinoline-3-carboxylic acid?
The InChIKey is HZNBOZWCGLPIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c16-14(17)12-7-10-3-1-2-4-11(10)13(15-12)18-8-9-5-6-9/h1-4,7,9H,5-6,8H2,(H,16,17).
What are the key properties of 1-(cyclopropylmethoxy)isoquinoline-3-carboxylic acid?
1-(cyclopropylmethoxy)isoquinoline-3-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)isoquinoline-3-carboxylic acid is sourced from PubChem (CID 43343317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).