quinolin-6-ylmethyl 4-amino-1-methylpyrrole-2-carboxylate

C16H15N3O2 — CID 61322875

IUPACquinolin-6-ylmethyl 4-amino-1-methylpyrrole-2-carboxylate
SMILESCn1cc(N)cc1C(=O)OCc1ccc2ncccc2c1
InChIInChI=1S/C16H15N3O2/c1-19-9-13(17)8-15(19)16(20)21-10-11-4-5-14-12(7-11)3-2-6-18-14/h2-9H,10,17H2,1H3
InChIKeyABOVIKFKEFKNMC-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.51
Rot. Bonds3

About quinolin-6-ylmethyl 4-amino-1-methylpyrrole-2-carboxylate

quinolin-6-ylmethyl 4-amino-1-methylpyrrole-2-carboxylate (PubChem CID 61322875) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is quinolin-6-ylmethyl 4-amino-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namequinolin-6-ylmethyl 4-amino-1-methylpyrrole-2-carboxylate
PubChem CID61322875
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Namequinolin-6-ylmethyl 4-amino-1-methylpyrrole-2-carboxylate
SMILESCn1cc(N)cc1C(=O)OCc1ccc2ncccc2c1
InChIInChI=1S/C16H15N3O2/c1-19-9-13(17)8-15(19)16(20)21-10-11-4-5-14-12(7-11)3-2-6-18-14/h2-9H,10,17H2,1H3
InChIKeyABOVIKFKEFKNMC-UHFFFAOYSA-N
XLogP2.51
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of quinolin-6-ylmethyl 4-amino-1-methylpyrrole-2-carboxylate?
The IUPAC name of quinolin-6-ylmethyl 4-amino-1-methylpyrrole-2-carboxylate (CID 61322875) is quinolin-6-ylmethyl 4-amino-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for quinolin-6-ylmethyl 4-amino-1-methylpyrrole-2-carboxylate?
The canonical SMILES for quinolin-6-ylmethyl 4-amino-1-methylpyrrole-2-carboxylate is Cn1cc(N)cc1C(=O)OCc1ccc2ncccc2c1.
What is the InChIKey of quinolin-6-ylmethyl 4-amino-1-methylpyrrole-2-carboxylate?
The InChIKey is ABOVIKFKEFKNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-19-9-13(17)8-15(19)16(20)21-10-11-4-5-14-12(7-11)3-2-6-18-14/h2-9H,10,17H2,1H3.
What are the key properties of quinolin-6-ylmethyl 4-amino-1-methylpyrrole-2-carboxylate?
quinolin-6-ylmethyl 4-amino-1-methylpyrrole-2-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-6-ylmethyl 4-amino-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 61322875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).