methyl 4-[methyl-(2-pyridin-4-ylquinoline-4-carbonyl)amino]butanoate

C21H21N3O3 — CID 39491212

IUPACmethyl 4-[methyl-(2-pyridin-4-ylquinoline-4-carbonyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C21H21N3O3/c1-24(13-5-8-20(25)27-2)21(26)17-14-19(15-9-11-22-12-10-15)23-18-7-4-3-6-16(17)18/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3
InChIKeyPTGWCWXPLMTUKQ-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.32
Rot. Bonds6

About methyl 4-[methyl-(2-pyridin-4-ylquinoline-4-carbonyl)amino]butanoate

methyl 4-[methyl-(2-pyridin-4-ylquinoline-4-carbonyl)amino]butanoate (PubChem CID 39491212) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is methyl 4-[methyl-(2-pyridin-4-ylquinoline-4-carbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl-(2-pyridin-4-ylquinoline-4-carbonyl)amino]butanoate
PubChem CID39491212
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Namemethyl 4-[methyl-(2-pyridin-4-ylquinoline-4-carbonyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C21H21N3O3/c1-24(13-5-8-20(25)27-2)21(26)17-14-19(15-9-11-22-12-10-15)23-18-7-4-3-6-16(17)18/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3
InChIKeyPTGWCWXPLMTUKQ-UHFFFAOYSA-N
XLogP3.32
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxypropyl)-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 166200011
N-butyl-N-methyl-2-phenylquinoline-4-carboxamide
CID 27702629
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 24981774
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 30278783
N-cyclopentyl-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 51268285
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 27827840
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26132145
ethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide
CID 144714320
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4302865
[1-(benzylamino)-1-oxopropan-2-yl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 55352331

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl-(2-pyridin-4-ylquinoline-4-carbonyl)amino]butanoate?
The IUPAC name of methyl 4-[methyl-(2-pyridin-4-ylquinoline-4-carbonyl)amino]butanoate (CID 39491212) is methyl 4-[methyl-(2-pyridin-4-ylquinoline-4-carbonyl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl-(2-pyridin-4-ylquinoline-4-carbonyl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl-(2-pyridin-4-ylquinoline-4-carbonyl)amino]butanoate is COC(=O)CCCN(C)C(=O)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of methyl 4-[methyl-(2-pyridin-4-ylquinoline-4-carbonyl)amino]butanoate?
The InChIKey is PTGWCWXPLMTUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-24(13-5-8-20(25)27-2)21(26)17-14-19(15-9-11-22-12-10-15)23-18-7-4-3-6-16(17)18/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3.
What are the key properties of methyl 4-[methyl-(2-pyridin-4-ylquinoline-4-carbonyl)amino]butanoate?
methyl 4-[methyl-(2-pyridin-4-ylquinoline-4-carbonyl)amino]butanoate has a molecular weight of 363.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl-(2-pyridin-4-ylquinoline-4-carbonyl)amino]butanoate is sourced from PubChem (CID 39491212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).