4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide

C16H21N3O2 — CID 82941455

IUPAC4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide
SMILESCOCCN(C(=O)c1cc(N)c2ccccc2n1)C(C)C
InChIInChI=1S/C16H21N3O2/c1-11(2)19(8-9-21-3)16(20)15-10-13(17)12-6-4-5-7-14(12)18-15/h4-7,10-11H,8-9H2,1-3H3,(H2,17,18)
InChIKeyDKWSSQYMCYDXRW-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.31
Rot. Bonds5

About 4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide

4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide (PubChem CID 82941455) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide
PubChem CID82941455
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide
SMILESCOCCN(C(=O)c1cc(N)c2ccccc2n1)C(C)C
InChIInChI=1S/C16H21N3O2/c1-11(2)19(8-9-21-3)16(20)15-10-13(17)12-6-4-5-7-14(12)18-15/h4-7,10-11H,8-9H2,1-3H3,(H2,17,18)
InChIKeyDKWSSQYMCYDXRW-UHFFFAOYSA-N
XLogP2.31
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide 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 4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide?
The IUPAC name of 4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide (CID 82941455) is 4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide is COCCN(C(=O)c1cc(N)c2ccccc2n1)C(C)C.
What is the InChIKey of 4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide?
The InChIKey is DKWSSQYMCYDXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(2)19(8-9-21-3)16(20)15-10-13(17)12-6-4-5-7-14(12)18-15/h4-7,10-11H,8-9H2,1-3H3,(H2,17,18).
What are the key properties of 4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide?
4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide is sourced from PubChem (CID 82941455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).