propyl 2-aminoquinoline-3-carboxylate

C13H14N2O2 — CID 10775804

IUPACpropyl 2-aminoquinoline-3-carboxylate
SMILESCCCOC(=O)c1cc2ccccc2nc1N
InChIInChI=1S/C13H14N2O2/c1-2-7-17-13(16)10-8-9-5-3-4-6-11(9)15-12(10)14/h3-6,8H,2,7H2,1H3,(H2,14,15)
InChIKeyGIGJNLSDCRXDII-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.38
Rot. Bonds3

About propyl 2-aminoquinoline-3-carboxylate

propyl 2-aminoquinoline-3-carboxylate (PubChem CID 10775804) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is propyl 2-aminoquinoline-3-carboxylate.

Molecular Properties

Compound Namepropyl 2-aminoquinoline-3-carboxylate
PubChem CID10775804
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Namepropyl 2-aminoquinoline-3-carboxylate
SMILESCCCOC(=O)c1cc2ccccc2nc1N
InChIInChI=1S/C13H14N2O2/c1-2-7-17-13(16)10-8-9-5-3-4-6-11(9)15-12(10)14/h3-6,8H,2,7H2,1H3,(H2,14,15)
InChIKeyGIGJNLSDCRXDII-UHFFFAOYSA-N
XLogP2.38
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propyl 2-aminoquinoline-3-carboxylate 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

2-aminoquinoline-3-carboxylic acid;ethyl 2-aminoquinoline-3-carboxylate
CID 161289500
dipropyl tetracene-2,3-dicarboxylate
CID 132917219
propyl cinnoline-3-carboxylate
CID 142670982
propyl 6-amino-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
CID 10588363
propyl 2-methylbenzoate
CID 23432654
2-amino-4-(2-propoxycarbonylphenyl)quinoline-3-carboxylic acid
CID 66786892
dipropyl naphthalene-1,4-dicarboxylate
CID 139070160
propyl isoquinoline-3-carboxylate
CID 162715167
2-amino-N-benzylquinoline-3-carboxamide
CID 14177193
propyl 2-methylperoxycarbonylbenzoate
CID 151434775
tetrapropyl naphthalene-1,4,5,8-tetracarboxylate
CID 21270260
butyl quinoline-3-carboxylate
CID 54753708

Frequently Asked Questions

What is the IUPAC name of propyl 2-aminoquinoline-3-carboxylate?
The IUPAC name of propyl 2-aminoquinoline-3-carboxylate (CID 10775804) is propyl 2-aminoquinoline-3-carboxylate.
What is the SMILES notation for propyl 2-aminoquinoline-3-carboxylate?
The canonical SMILES for propyl 2-aminoquinoline-3-carboxylate is CCCOC(=O)c1cc2ccccc2nc1N.
What is the InChIKey of propyl 2-aminoquinoline-3-carboxylate?
The InChIKey is GIGJNLSDCRXDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-7-17-13(16)10-8-9-5-3-4-6-11(9)15-12(10)14/h3-6,8H,2,7H2,1H3,(H2,14,15).
What are the key properties of propyl 2-aminoquinoline-3-carboxylate?
propyl 2-aminoquinoline-3-carboxylate has a molecular weight of 230.27 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-aminoquinoline-3-carboxylate is sourced from PubChem (CID 10775804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).