(2S)-2-(azaniumylmethyl)-4-methyl-2,3-dihydrofuro[3,2-c]quinoline-8-carboxylate

C14H14N2O3 — CID 6954728

IUPAC(2S)-2-(azaniumylmethyl)-4-methyl-2,3-dihydrofuro[3,2-c]quinoline-8-carboxylate
SMILESCc1nc2ccc(C(=O)[O-])cc2c2c1C[C@@H](C[NH3+])O2
InChIInChI=1S/C14H14N2O3/c1-7-10-5-9(6-15)19-13(10)11-4-8(14(17)18)2-3-12(11)16-7/h2-4,9H,5-6,15H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyXLPIRLQSGFVQRP-VIFPVBQESA-N
MW258.28 g/mol
LogP-0.55
Rot. Bonds2

About (2S)-2-(azaniumylmethyl)-4-methyl-2,3-dihydrofuro[3,2-c]quinoline-8-carboxylate

(2S)-2-(azaniumylmethyl)-4-methyl-2,3-dihydrofuro[3,2-c]quinoline-8-carboxylate (PubChem CID 6954728) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is (2S)-2-(azaniumylmethyl)-4-methyl-2,3-dihydrofuro[3,2-c]quinoline-8-carboxylate.

Molecular Properties

Compound Name(2S)-2-(azaniumylmethyl)-4-methyl-2,3-dihydrofuro[3,2-c]quinoline-8-carboxylate
PubChem CID6954728
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name(2S)-2-(azaniumylmethyl)-4-methyl-2,3-dihydrofuro[3,2-c]quinoline-8-carboxylate
SMILESCc1nc2ccc(C(=O)[O-])cc2c2c1C[C@@H](C[NH3+])O2
InChIInChI=1S/C14H14N2O3/c1-7-10-5-9(6-15)19-13(10)11-4-8(14(17)18)2-3-12(11)16-7/h2-4,9H,5-6,15H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyXLPIRLQSGFVQRP-VIFPVBQESA-N
XLogP-0.55
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(azaniumylmethyl)-4-methyl-2,3-dihydrofuro[3,2-c]quinoline-8-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(azaniumylmethyl)-4-methyl-2,3-dihydrofuro[3,2-c]quinoline-8-carboxylate?
The IUPAC name of (2S)-2-(azaniumylmethyl)-4-methyl-2,3-dihydrofuro[3,2-c]quinoline-8-carboxylate (CID 6954728) is (2S)-2-(azaniumylmethyl)-4-methyl-2,3-dihydrofuro[3,2-c]quinoline-8-carboxylate.
What is the SMILES notation for (2S)-2-(azaniumylmethyl)-4-methyl-2,3-dihydrofuro[3,2-c]quinoline-8-carboxylate?
The canonical SMILES for (2S)-2-(azaniumylmethyl)-4-methyl-2,3-dihydrofuro[3,2-c]quinoline-8-carboxylate is Cc1nc2ccc(C(=O)[O-])cc2c2c1C[C@@H](C[NH3+])O2.
What is the InChIKey of (2S)-2-(azaniumylmethyl)-4-methyl-2,3-dihydrofuro[3,2-c]quinoline-8-carboxylate?
The InChIKey is XLPIRLQSGFVQRP-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14N2O3/c1-7-10-5-9(6-15)19-13(10)11-4-8(14(17)18)2-3-12(11)16-7/h2-4,9H,5-6,15H2,1H3,(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-2-(azaniumylmethyl)-4-methyl-2,3-dihydrofuro[3,2-c]quinoline-8-carboxylate?
(2S)-2-(azaniumylmethyl)-4-methyl-2,3-dihydrofuro[3,2-c]quinoline-8-carboxylate has a molecular weight of 258.28 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(azaniumylmethyl)-4-methyl-2,3-dihydrofuro[3,2-c]quinoline-8-carboxylate is sourced from PubChem (CID 6954728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).