1-methyl-3-oxo-2-[4-(quinolin-4-ylmethoxy)phenyl]-2,5,6,7,8,8a-hexahydro-1H-indolizine-5-carboxamide

C26H27N3O3 — CID 142260488

IUPAC1-methyl-3-oxo-2-[4-(quinolin-4-ylmethoxy)phenyl]-2,5,6,7,8,8a-hexahydro-1H-indolizine-5-carboxamide
SMILESCC1C(c2ccc(OCc3ccnc4ccccc34)cc2)C(=O)N2C(C(N)=O)CCCC12
InChIInChI=1S/C26H27N3O3/c1-16-22-7-4-8-23(25(27)30)29(22)26(31)24(16)17-9-11-19(12-10-17)32-15-18-13-14-28-21-6-3-2-5-20(18)21/h2-3,5-6,9-14,16,22-24H,4,7-8,15H2,1H3,(H2,27,30)
InChIKeyAHFFFHYUESHSLQ-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.78
Rot. Bonds5

About 1-methyl-3-oxo-2-[4-(quinolin-4-ylmethoxy)phenyl]-2,5,6,7,8,8a-hexahydro-1H-indolizine-5-carboxamide

1-methyl-3-oxo-2-[4-(quinolin-4-ylmethoxy)phenyl]-2,5,6,7,8,8a-hexahydro-1H-indolizine-5-carboxamide (PubChem CID 142260488) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 1-methyl-3-oxo-2-[4-(quinolin-4-ylmethoxy)phenyl]-2,5,6,7,8,8a-hexahydro-1H-indolizine-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-oxo-2-[4-(quinolin-4-ylmethoxy)phenyl]-2,5,6,7,8,8a-hexahydro-1H-indolizine-5-carboxamide
PubChem CID142260488
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name1-methyl-3-oxo-2-[4-(quinolin-4-ylmethoxy)phenyl]-2,5,6,7,8,8a-hexahydro-1H-indolizine-5-carboxamide
SMILESCC1C(c2ccc(OCc3ccnc4ccccc34)cc2)C(=O)N2C(C(N)=O)CCCC12
InChIInChI=1S/C26H27N3O3/c1-16-22-7-4-8-23(25(27)30)29(22)26(31)24(16)17-9-11-19(12-10-17)32-15-18-13-14-28-21-6-3-2-5-20(18)21/h2-3,5-6,9-14,16,22-24H,4,7-8,15H2,1H3,(H2,27,30)
InChIKeyAHFFFHYUESHSLQ-UHFFFAOYSA-N
XLogP3.78
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-oxo-2-[4-(quinolin-4-ylmethoxy)phenyl]-2,5,6,7,8,8a-hexahydro-1H-indolizine-5-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 1-methyl-3-oxo-2-[4-(quinolin-4-ylmethoxy)phenyl]-2,5,6,7,8,8a-hexahydro-1H-indolizine-5-carboxamide?
The IUPAC name of 1-methyl-3-oxo-2-[4-(quinolin-4-ylmethoxy)phenyl]-2,5,6,7,8,8a-hexahydro-1H-indolizine-5-carboxamide (CID 142260488) is 1-methyl-3-oxo-2-[4-(quinolin-4-ylmethoxy)phenyl]-2,5,6,7,8,8a-hexahydro-1H-indolizine-5-carboxamide.
What is the SMILES notation for 1-methyl-3-oxo-2-[4-(quinolin-4-ylmethoxy)phenyl]-2,5,6,7,8,8a-hexahydro-1H-indolizine-5-carboxamide?
The canonical SMILES for 1-methyl-3-oxo-2-[4-(quinolin-4-ylmethoxy)phenyl]-2,5,6,7,8,8a-hexahydro-1H-indolizine-5-carboxamide is CC1C(c2ccc(OCc3ccnc4ccccc34)cc2)C(=O)N2C(C(N)=O)CCCC12.
What is the InChIKey of 1-methyl-3-oxo-2-[4-(quinolin-4-ylmethoxy)phenyl]-2,5,6,7,8,8a-hexahydro-1H-indolizine-5-carboxamide?
The InChIKey is AHFFFHYUESHSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-16-22-7-4-8-23(25(27)30)29(22)26(31)24(16)17-9-11-19(12-10-17)32-15-18-13-14-28-21-6-3-2-5-20(18)21/h2-3,5-6,9-14,16,22-24H,4,7-8,15H2,1H3,(H2,27,30).
What are the key properties of 1-methyl-3-oxo-2-[4-(quinolin-4-ylmethoxy)phenyl]-2,5,6,7,8,8a-hexahydro-1H-indolizine-5-carboxamide?
1-methyl-3-oxo-2-[4-(quinolin-4-ylmethoxy)phenyl]-2,5,6,7,8,8a-hexahydro-1H-indolizine-5-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-oxo-2-[4-(quinolin-4-ylmethoxy)phenyl]-2,5,6,7,8,8a-hexahydro-1H-indolizine-5-carboxamide is sourced from PubChem (CID 142260488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).