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

C34H27N3O3 — CID 18771269

IUPAC2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide
SMILESCc1c(C(=O)C(N)=O)c2c(OCc3ccc4ccccc4n3)cccn2c1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C34H27N3O3/c1-22-29(20-25-13-5-7-14-27(25)23-10-3-2-4-11-23)37-19-9-16-30(32(37)31(22)33(38)34(35)39)40-21-26-18-17-24-12-6-8-15-28(24)36-26/h2-19H,20-21H2,1H3,(H2,35,39)
InChIKeyZVAFUADPAJWMSG-UHFFFAOYSA-N
MW525.61 g/mol
LogP6.30
Rot. Bonds8

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

2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide (PubChem CID 18771269) has the molecular formula C34H27N3O3 and a molecular weight of 525.61 g/mol. Its IUPAC name is 2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide
PubChem CID18771269
Molecular FormulaC34H27N3O3
Molecular Weight525.61 g/mol
Exact Mass525.21
IUPAC Name2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide
SMILESCc1c(C(=O)C(N)=O)c2c(OCc3ccc4ccccc4n3)cccn2c1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C34H27N3O3/c1-22-29(20-25-13-5-7-14-27(25)23-10-3-2-4-11-23)37-19-9-16-30(32(37)31(22)33(38)34(35)39)40-21-26-18-17-24-12-6-8-15-28(24)36-26/h2-19H,20-21H2,1H3,(H2,35,39)
InChIKeyZVAFUADPAJWMSG-UHFFFAOYSA-N
XLogP6.30
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.61
LogP ≤ 56.30
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-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide (CID 18771269) is 2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide is Cc1c(C(=O)C(N)=O)c2c(OCc3ccc4ccccc4n3)cccn2c1Cc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide?
The InChIKey is ZVAFUADPAJWMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N3O3/c1-22-29(20-25-13-5-7-14-27(25)23-10-3-2-4-11-23)37-19-9-16-30(32(37)31(22)33(38)34(35)39)40-21-26-18-17-24-12-6-8-15-28(24)36-26/h2-19H,20-21H2,1H3,(H2,35,39).
What are the key properties of 2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide?
2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide has a molecular weight of 525.61 g/mol, XLogP of 6.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 18771269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).