methyl 2-[(6-propan-2-yl-2-pyridin-3-ylquinoline-4-carbonyl)amino]acetate

C21H21N3O3 — CID 39351435

IUPACmethyl 2-[(6-propan-2-yl-2-pyridin-3-ylquinoline-4-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(-c2cccnc2)nc2ccc(C(C)C)cc12
InChIInChI=1S/C21H21N3O3/c1-13(2)14-6-7-18-16(9-14)17(21(26)23-12-20(25)27-3)10-19(24-18)15-5-4-8-22-11-15/h4-11,13H,12H2,1-3H3,(H,23,26)
InChIKeyHCGGCOAASFRPCO-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.32
Rot. Bonds5

About methyl 2-[(6-propan-2-yl-2-pyridin-3-ylquinoline-4-carbonyl)amino]acetate

methyl 2-[(6-propan-2-yl-2-pyridin-3-ylquinoline-4-carbonyl)amino]acetate (PubChem CID 39351435) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is methyl 2-[(6-propan-2-yl-2-pyridin-3-ylquinoline-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-propan-2-yl-2-pyridin-3-ylquinoline-4-carbonyl)amino]acetate
PubChem CID39351435
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Namemethyl 2-[(6-propan-2-yl-2-pyridin-3-ylquinoline-4-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(-c2cccnc2)nc2ccc(C(C)C)cc12
InChIInChI=1S/C21H21N3O3/c1-13(2)14-6-7-18-16(9-14)17(21(26)23-12-20(25)27-3)10-19(24-18)15-5-4-8-22-11-15/h4-11,13H,12H2,1-3H3,(H,23,26)
InChIKeyHCGGCOAASFRPCO-UHFFFAOYSA-N
XLogP3.32
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(6-propan-2-yl-2-pyridin-3-ylquinoline-4-carbonyl)amino]acetate with MolForge

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Related Compounds

2-(4-methoxyphenyl)-6-propan-2-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
CID 3443765
N-(2-hydroxy-2,3-dimethylbutyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 111483666
2-(4-methoxyphenyl)-N-(2-phenylethyl)-6-propan-2-ylquinoline-4-carboxamide
CID 3443764
N-[(2-methoxyphenyl)methyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798396
6-bromo-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 1257075
6-propan-2-yl-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3998413
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 24612002
N-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798269
6-chloro-N-[(4-chlorophenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798226
N-[(5-bromo-2-methoxyphenyl)methyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798336
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-propan-2-yl-2-pyridin-3-ylquinoline-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(6-propan-2-yl-2-pyridin-3-ylquinoline-4-carbonyl)amino]acetate (CID 39351435) is methyl 2-[(6-propan-2-yl-2-pyridin-3-ylquinoline-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(6-propan-2-yl-2-pyridin-3-ylquinoline-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(6-propan-2-yl-2-pyridin-3-ylquinoline-4-carbonyl)amino]acetate is COC(=O)CNC(=O)c1cc(-c2cccnc2)nc2ccc(C(C)C)cc12.
What is the InChIKey of methyl 2-[(6-propan-2-yl-2-pyridin-3-ylquinoline-4-carbonyl)amino]acetate?
The InChIKey is HCGGCOAASFRPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-13(2)14-6-7-18-16(9-14)17(21(26)23-12-20(25)27-3)10-19(24-18)15-5-4-8-22-11-15/h4-11,13H,12H2,1-3H3,(H,23,26).
What are the key properties of methyl 2-[(6-propan-2-yl-2-pyridin-3-ylquinoline-4-carbonyl)amino]acetate?
methyl 2-[(6-propan-2-yl-2-pyridin-3-ylquinoline-4-carbonyl)amino]acetate has a molecular weight of 363.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-propan-2-yl-2-pyridin-3-ylquinoline-4-carbonyl)amino]acetate is sourced from PubChem (CID 39351435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).