N-methyl-N-[1-(1-oxo-2H-isoquinolin-4-yl)ethyl]indolizine-2-carboxamide

C21H19N3O2 — CID 169059055

IUPACN-methyl-N-[1-(1-oxo-2H-isoquinolin-4-yl)ethyl]indolizine-2-carboxamide
SMILESCC(c1c[nH]c(=O)c2ccccc12)N(C)C(=O)c1cc2ccccn2c1
InChIInChI=1S/C21H19N3O2/c1-14(19-12-22-20(25)18-9-4-3-8-17(18)19)23(2)21(26)15-11-16-7-5-6-10-24(16)13-15/h3-14H,1-2H3,(H,22,25)
InChIKeyPLJPRBPNVHQLGP-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.61
Rot. Bonds3

About N-methyl-N-[1-(1-oxo-2H-isoquinolin-4-yl)ethyl]indolizine-2-carboxamide

N-methyl-N-[1-(1-oxo-2H-isoquinolin-4-yl)ethyl]indolizine-2-carboxamide (PubChem CID 169059055) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-methyl-N-[1-(1-oxo-2H-isoquinolin-4-yl)ethyl]indolizine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-(1-oxo-2H-isoquinolin-4-yl)ethyl]indolizine-2-carboxamide
PubChem CID169059055
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-methyl-N-[1-(1-oxo-2H-isoquinolin-4-yl)ethyl]indolizine-2-carboxamide
SMILESCC(c1c[nH]c(=O)c2ccccc12)N(C)C(=O)c1cc2ccccn2c1
InChIInChI=1S/C21H19N3O2/c1-14(19-12-22-20(25)18-9-4-3-8-17(18)19)23(2)21(26)15-11-16-7-5-6-10-24(16)13-15/h3-14H,1-2H3,(H,22,25)
InChIKeyPLJPRBPNVHQLGP-UHFFFAOYSA-N
XLogP3.61
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(7,8-difluoro-1-oxo-2H-isoquinolin-4-yl)ethyl]-N-methylindolizine-2-carboxamide
CID 169058736
8-chloro-N-methyl-N-[(1R)-1-(1-oxo-2H-isoquinolin-4-yl)ethyl]indolizine-2-carboxamide
CID 169058729
N-[(1R)-1-(6,7-difluoro-1-oxo-2H-isoquinolin-4-yl)ethyl]-8-fluoro-N-methylindolizine-2-carboxamide
CID 169058906
N-[1-(6,7-difluoro-1-oxo-2H-isoquinolin-4-yl)ethyl]-8-fluoro-N-methylindolizine-2-carboxamide
CID 169059070
4-chloro-3-fluoro-N-methyl-N-[1-(1-oxo-2H-isoquinolin-4-yl)ethyl]benzamide
CID 169058791
3-fluoro-N-methyl-N-[(1S)-1-(1-oxo-2H-isoquinolin-4-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 169058737
N-[1-(6,7-difluoro-1-oxo-2H-isoquinolin-4-yl)ethyl]-N,4-dimethylbenzamide
CID 170211535
N-[1-(6,7-difluoro-1-oxo-2H-isoquinolin-4-yl)ethyl]-N,1-dimethylindole-6-carboxamide
CID 169058772
N-[1-(6,7-difluoro-1-oxo-2H-isoquinolin-4-yl)ethyl]-3-fluoro-N-methyl-4-(trifluoromethyl)benzamide
CID 169058990
N-[1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-8-fluoro-N-methylindolizine-2-carboxamide
CID 169279182
N-[(3,4,5-trimethoxyphenyl)methyl]indolizine-2-carboxamide
CID 46388327
8-chloro-N-[1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methylindolizine-2-carboxamide
CID 169278995

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(1-oxo-2H-isoquinolin-4-yl)ethyl]indolizine-2-carboxamide?
The IUPAC name of N-methyl-N-[1-(1-oxo-2H-isoquinolin-4-yl)ethyl]indolizine-2-carboxamide (CID 169059055) is N-methyl-N-[1-(1-oxo-2H-isoquinolin-4-yl)ethyl]indolizine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[1-(1-oxo-2H-isoquinolin-4-yl)ethyl]indolizine-2-carboxamide?
The canonical SMILES for N-methyl-N-[1-(1-oxo-2H-isoquinolin-4-yl)ethyl]indolizine-2-carboxamide is CC(c1c[nH]c(=O)c2ccccc12)N(C)C(=O)c1cc2ccccn2c1.
What is the InChIKey of N-methyl-N-[1-(1-oxo-2H-isoquinolin-4-yl)ethyl]indolizine-2-carboxamide?
The InChIKey is PLJPRBPNVHQLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-14(19-12-22-20(25)18-9-4-3-8-17(18)19)23(2)21(26)15-11-16-7-5-6-10-24(16)13-15/h3-14H,1-2H3,(H,22,25).
What are the key properties of N-methyl-N-[1-(1-oxo-2H-isoquinolin-4-yl)ethyl]indolizine-2-carboxamide?
N-methyl-N-[1-(1-oxo-2H-isoquinolin-4-yl)ethyl]indolizine-2-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(1-oxo-2H-isoquinolin-4-yl)ethyl]indolizine-2-carboxamide is sourced from PubChem (CID 169059055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).