methyl 4-amino-6-chloro-8-methyl-2,3-dihydrochromene-4-carboxylate

C12H14ClNO3 — CID 82046164

IUPACmethyl 4-amino-6-chloro-8-methyl-2,3-dihydrochromene-4-carboxylate
SMILESCOC(=O)C1(N)CCOc2c(C)cc(Cl)cc21
InChIInChI=1S/C12H14ClNO3/c1-7-5-8(13)6-9-10(7)17-4-3-12(9,14)11(15)16-2/h5-6H,3-4,14H2,1-2H3
InChIKeyRAVQAPGMZYFIAP-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.76
Rot. Bonds1

About methyl 4-amino-6-chloro-8-methyl-2,3-dihydrochromene-4-carboxylate

methyl 4-amino-6-chloro-8-methyl-2,3-dihydrochromene-4-carboxylate (PubChem CID 82046164) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is methyl 4-amino-6-chloro-8-methyl-2,3-dihydrochromene-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-chloro-8-methyl-2,3-dihydrochromene-4-carboxylate
PubChem CID82046164
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Namemethyl 4-amino-6-chloro-8-methyl-2,3-dihydrochromene-4-carboxylate
SMILESCOC(=O)C1(N)CCOc2c(C)cc(Cl)cc21
InChIInChI=1S/C12H14ClNO3/c1-7-5-8(13)6-9-10(7)17-4-3-12(9,14)11(15)16-2/h5-6H,3-4,14H2,1-2H3
InChIKeyRAVQAPGMZYFIAP-UHFFFAOYSA-N
XLogP1.76
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-amino-6-chloro-8-methyl-2,3-dihydrochromene-4-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 methyl 4-amino-6-chloro-8-methyl-2,3-dihydrochromene-4-carboxylate?
The IUPAC name of methyl 4-amino-6-chloro-8-methyl-2,3-dihydrochromene-4-carboxylate (CID 82046164) is methyl 4-amino-6-chloro-8-methyl-2,3-dihydrochromene-4-carboxylate.
What is the SMILES notation for methyl 4-amino-6-chloro-8-methyl-2,3-dihydrochromene-4-carboxylate?
The canonical SMILES for methyl 4-amino-6-chloro-8-methyl-2,3-dihydrochromene-4-carboxylate is COC(=O)C1(N)CCOc2c(C)cc(Cl)cc21.
What is the InChIKey of methyl 4-amino-6-chloro-8-methyl-2,3-dihydrochromene-4-carboxylate?
The InChIKey is RAVQAPGMZYFIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-7-5-8(13)6-9-10(7)17-4-3-12(9,14)11(15)16-2/h5-6H,3-4,14H2,1-2H3.
What are the key properties of methyl 4-amino-6-chloro-8-methyl-2,3-dihydrochromene-4-carboxylate?
methyl 4-amino-6-chloro-8-methyl-2,3-dihydrochromene-4-carboxylate has a molecular weight of 255.70 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-chloro-8-methyl-2,3-dihydrochromene-4-carboxylate is sourced from PubChem (CID 82046164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).