methyl N-[[4-[[(2-methylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate

C21H21N3O3 — CID 18729746

IUPACmethyl N-[[4-[[(2-methylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate
SMILESCOC(=O)NCc1ccc(CNC(=O)c2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C21H21N3O3/c1-14-11-18(17-5-3-4-6-19(17)24-14)20(25)22-12-15-7-9-16(10-8-15)13-23-21(26)27-2/h3-11H,12-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyFSXACDQFRJHBJX-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.33
Rot. Bonds5

About methyl N-[[4-[[(2-methylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate

methyl N-[[4-[[(2-methylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate (PubChem CID 18729746) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is methyl N-[[4-[[(2-methylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[4-[[(2-methylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate
PubChem CID18729746
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Namemethyl N-[[4-[[(2-methylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate
SMILESCOC(=O)NCc1ccc(CNC(=O)c2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C21H21N3O3/c1-14-11-18(17-5-3-4-6-19(17)24-14)20(25)22-12-15-7-9-16(10-8-15)13-23-21(26)27-2/h3-11H,12-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyFSXACDQFRJHBJX-UHFFFAOYSA-N
XLogP3.33
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl N-[[4-[[(2-methylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 7959679
2-methyl-N-[(4-pyrrol-1-ylphenyl)methyl]quinoline-4-carboxamide
CID 5300704
methyl N-[[4-[[(2-naphthalen-2-ylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate
CID 18729745
N-(cyanomethyl)-2-methylquinoline-4-carboxamide
CID 51890088
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylquinoline-4-carboxamide
CID 37426486
methyl 2-iodo-3-[(2-methylquinoline-4-carbonyl)amino]propanoate
CID 103493219
methyl 2-hydroxy-3-[(2-methylquinoline-4-carbonyl)amino]propanoate
CID 103879325
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 3269613
2-methoxy-1-(2-methylquinolin-4-yl)ethanone
CID 105115074
N-benzyl-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
CID 22578030
N-(5-iodopentyl)-2-methylquinoline-4-carboxamide
CID 107322663

Frequently Asked Questions

What is the IUPAC name of methyl N-[[4-[[(2-methylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate?
The IUPAC name of methyl N-[[4-[[(2-methylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate (CID 18729746) is methyl N-[[4-[[(2-methylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[4-[[(2-methylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate?
The canonical SMILES for methyl N-[[4-[[(2-methylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate is COC(=O)NCc1ccc(CNC(=O)c2cc(C)nc3ccccc23)cc1.
What is the InChIKey of methyl N-[[4-[[(2-methylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate?
The InChIKey is FSXACDQFRJHBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14-11-18(17-5-3-4-6-19(17)24-14)20(25)22-12-15-7-9-16(10-8-15)13-23-21(26)27-2/h3-11H,12-13H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of methyl N-[[4-[[(2-methylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate?
methyl N-[[4-[[(2-methylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate has a molecular weight of 363.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[4-[[(2-methylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate is sourced from PubChem (CID 18729746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).