2-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide

C35H29N3O3 — CID 10530468

IUPAC2-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide
SMILESCCc1c(C(=O)C(N)=O)c2c(OCc3ccc4ccccc4n3)cccn2c1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C35H29N3O3/c1-2-27-30(21-25-14-6-8-15-28(25)23-11-4-3-5-12-23)38-20-10-17-31(33(38)32(27)34(39)35(36)40)41-22-26-19-18-24-13-7-9-16-29(24)37-26/h3-20H,2,21-22H2,1H3,(H2,36,40)
InChIKeyNTDBGNDXDHECNB-UHFFFAOYSA-N
MW539.64 g/mol
LogP6.55
Rot. Bonds9

About 2-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide

2-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide (PubChem CID 10530468) has the molecular formula C35H29N3O3 and a molecular weight of 539.64 g/mol. Its IUPAC name is 2-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide
PubChem CID10530468
Molecular FormulaC35H29N3O3
Molecular Weight539.64 g/mol
Exact Mass539.22
IUPAC Name2-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide
SMILESCCc1c(C(=O)C(N)=O)c2c(OCc3ccc4ccccc4n3)cccn2c1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C35H29N3O3/c1-2-27-30(21-25-14-6-8-15-28(25)23-11-4-3-5-12-23)38-20-10-17-31(33(38)32(27)34(39)35(36)40)41-22-26-19-18-24-13-7-9-16-29(24)37-26/h3-20H,2,21-22H2,1H3,(H2,36,40)
InChIKeyNTDBGNDXDHECNB-UHFFFAOYSA-N
XLogP6.55
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.64
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide (CID 10530468) is 2-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide is CCc1c(C(=O)C(N)=O)c2c(OCc3ccc4ccccc4n3)cccn2c1Cc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide?
The InChIKey is NTDBGNDXDHECNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29N3O3/c1-2-27-30(21-25-14-6-8-15-28(25)23-11-4-3-5-12-23)38-20-10-17-31(33(38)32(27)34(39)35(36)40)41-22-26-19-18-24-13-7-9-16-29(24)37-26/h3-20H,2,21-22H2,1H3,(H2,36,40).
What are the key properties of 2-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide?
2-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide has a molecular weight of 539.64 g/mol, XLogP of 6.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 10530468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).