N-(1-acetylpiperidin-4-yl)-7-methoxyquinoline-3-carboxamide

C18H21N3O3 — CID 155562545

IUPACN-(1-acetylpiperidin-4-yl)-7-methoxyquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CCN(C(C)=O)CC3)cnc2c1
InChIInChI=1S/C18H21N3O3/c1-12(22)21-7-5-15(6-8-21)20-18(23)14-9-13-3-4-16(24-2)10-17(13)19-11-14/h3-4,9-11,15H,5-8H2,1-2H3,(H,20,23)
InChIKeyVXFUTSNHJBXBCL-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.98
Rot. Bonds3

About N-(1-acetylpiperidin-4-yl)-7-methoxyquinoline-3-carboxamide

N-(1-acetylpiperidin-4-yl)-7-methoxyquinoline-3-carboxamide (PubChem CID 155562545) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-7-methoxyquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-7-methoxyquinoline-3-carboxamide
PubChem CID155562545
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-(1-acetylpiperidin-4-yl)-7-methoxyquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CCN(C(C)=O)CC3)cnc2c1
InChIInChI=1S/C18H21N3O3/c1-12(22)21-7-5-15(6-8-21)20-18(23)14-9-13-3-4-16(24-2)10-17(13)19-11-14/h3-4,9-11,15H,5-8H2,1-2H3,(H,20,23)
InChIKeyVXFUTSNHJBXBCL-UHFFFAOYSA-N
XLogP1.98
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-acetylpiperidin-4-yl)-7-methoxyquinoline-3-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 N-(1-acetylpiperidin-4-yl)-7-methoxyquinoline-3-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-7-methoxyquinoline-3-carboxamide (CID 155562545) is N-(1-acetylpiperidin-4-yl)-7-methoxyquinoline-3-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-7-methoxyquinoline-3-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-7-methoxyquinoline-3-carboxamide is COc1ccc2cc(C(=O)NC3CCN(C(C)=O)CC3)cnc2c1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-7-methoxyquinoline-3-carboxamide?
The InChIKey is VXFUTSNHJBXBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12(22)21-7-5-15(6-8-21)20-18(23)14-9-13-3-4-16(24-2)10-17(13)19-11-14/h3-4,9-11,15H,5-8H2,1-2H3,(H,20,23).
What are the key properties of N-(1-acetylpiperidin-4-yl)-7-methoxyquinoline-3-carboxamide?
N-(1-acetylpiperidin-4-yl)-7-methoxyquinoline-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-7-methoxyquinoline-3-carboxamide is sourced from PubChem (CID 155562545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).