methyl N-[2-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylquinolin-7-yl]carbamate

C20H19N3O4 — CID 169421328

IUPACmethyl N-[2-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylquinolin-7-yl]carbamate
SMILESCOC(=O)Nc1ccc2c(C)cc(-c3ccc(OCC(N)=O)cc3)nc2c1
InChIInChI=1S/C20H19N3O4/c1-12-9-17(13-3-6-15(7-4-13)27-11-19(21)24)23-18-10-14(5-8-16(12)18)22-20(25)26-2/h3-10H,11H2,1-2H3,(H2,21,24)(H,22,25)
InChIKeyPYEAXJXALULAAV-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.25
Rot. Bonds5

About methyl N-[2-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylquinolin-7-yl]carbamate

methyl N-[2-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylquinolin-7-yl]carbamate (PubChem CID 169421328) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is methyl N-[2-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylquinolin-7-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylquinolin-7-yl]carbamate
PubChem CID169421328
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Namemethyl N-[2-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylquinolin-7-yl]carbamate
SMILESCOC(=O)Nc1ccc2c(C)cc(-c3ccc(OCC(N)=O)cc3)nc2c1
InChIInChI=1S/C20H19N3O4/c1-12-9-17(13-3-6-15(7-4-13)27-11-19(21)24)23-18-10-14(5-8-16(12)18)22-20(25)26-2/h3-10H,11H2,1-2H3,(H2,21,24)(H,22,25)
InChIKeyPYEAXJXALULAAV-UHFFFAOYSA-N
XLogP3.25
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[3-(methoxycarbonylamino)-6-(4-methoxyphenyl)phenanthridin-8-yl]carbamate
CID 89468188
N-[2-[4-(dimethylamino)phenyl]-4-methylquinolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 11155856
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-7-yl]-2-methoxyacetamide
CID 169422185
N-[4-(2-amino-2-oxoethoxy)-2-(4-chlorophenyl)quinolin-6-yl]-4-methylbenzamide
CID 53113532
2-[4-[7-(hydroxymethyl)-4-methylquinolin-2-yl]phenoxy]-1-piperidin-1-ylethanone
CID 170511844
N-[4-(2-amino-2-oxoethoxy)-2-(4-methylphenyl)quinolin-6-yl]cyclopropanecarboxamide
CID 53113631
4-[4-(4-methylquinolin-2-yl)phenoxy]butanoic acid
CID 17466697
2-[4-(8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)phenoxy]acetic acid;hydrochloride
CID 47006423
2-[4-[(2-methoxyacetyl)amino]phenoxy]acetamide
CID 47156560
formic acid;N-[4-methyl-2-(4-pyrimidin-2-yloxyphenyl)quinolin-6-yl]acetamide
CID 171338597
N-[4-(2-amino-2-oxoethoxy)phenyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55566896
N-[4-(2-amino-2-oxoethoxy)-2-phenylquinolin-6-yl]-3,4,5-trimethoxybenzamide
CID 53113500

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylquinolin-7-yl]carbamate?
The IUPAC name of methyl N-[2-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylquinolin-7-yl]carbamate (CID 169421328) is methyl N-[2-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylquinolin-7-yl]carbamate.
What is the SMILES notation for methyl N-[2-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylquinolin-7-yl]carbamate?
The canonical SMILES for methyl N-[2-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylquinolin-7-yl]carbamate is COC(=O)Nc1ccc2c(C)cc(-c3ccc(OCC(N)=O)cc3)nc2c1.
What is the InChIKey of methyl N-[2-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylquinolin-7-yl]carbamate?
The InChIKey is PYEAXJXALULAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-12-9-17(13-3-6-15(7-4-13)27-11-19(21)24)23-18-10-14(5-8-16(12)18)22-20(25)26-2/h3-10H,11H2,1-2H3,(H2,21,24)(H,22,25).
What are the key properties of methyl N-[2-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylquinolin-7-yl]carbamate?
methyl N-[2-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylquinolin-7-yl]carbamate has a molecular weight of 365.39 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylquinolin-7-yl]carbamate is sourced from PubChem (CID 169421328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).