methyl N-methyl-N-[4-[(2-oxo-1H-quinoline-4-carbonyl)amino]phenyl]carbamate

C19H17N3O4 — CID 94650278

IUPACmethyl N-methyl-N-[4-[(2-oxo-1H-quinoline-4-carbonyl)amino]phenyl]carbamate
SMILESCOC(=O)N(C)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C19H17N3O4/c1-22(19(25)26-2)13-9-7-12(8-10-13)20-18(24)15-11-17(23)21-16-6-4-3-5-14(15)16/h3-11H,1-2H3,(H,20,24)(H,21,23)
InChIKeyYIEJSZYUEXWMHT-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.98
Rot. Bonds3

About methyl N-methyl-N-[4-[(2-oxo-1H-quinoline-4-carbonyl)amino]phenyl]carbamate

methyl N-methyl-N-[4-[(2-oxo-1H-quinoline-4-carbonyl)amino]phenyl]carbamate (PubChem CID 94650278) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is methyl N-methyl-N-[4-[(2-oxo-1H-quinoline-4-carbonyl)amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-[4-[(2-oxo-1H-quinoline-4-carbonyl)amino]phenyl]carbamate
PubChem CID94650278
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Namemethyl N-methyl-N-[4-[(2-oxo-1H-quinoline-4-carbonyl)amino]phenyl]carbamate
SMILESCOC(=O)N(C)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C19H17N3O4/c1-22(19(25)26-2)13-9-7-12(8-10-13)20-18(24)15-11-17(23)21-16-6-4-3-5-14(15)16/h3-11H,1-2H3,(H,20,24)(H,21,23)
InChIKeyYIEJSZYUEXWMHT-UHFFFAOYSA-N
XLogP2.98
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-oxo-1H-quinoline-4-carboxamide
CID 32943769
N-(4-carbamoylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 8840546
2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide
CID 17391109
N-[5-(dimethylamino)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
CID 51127762
N-(2-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 917217
methyl N-[4-[(2-cyclopropylquinoline-4-carbonyl)amino]phenyl]-N-methylcarbamate
CID 60578469
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-oxo-1H-quinoline-4-carboxamide
CID 5347000
N-(2,5-dimethoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 4779254
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
N-(2-ethylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 6456887
N-[2-(dimethylamino)-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
CID 71896808
methyl N-methyl-N-[4-[(5-methylthiophene-2-carbonyl)amino]phenyl]carbamate
CID 71937597

Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-[4-[(2-oxo-1H-quinoline-4-carbonyl)amino]phenyl]carbamate?
The IUPAC name of methyl N-methyl-N-[4-[(2-oxo-1H-quinoline-4-carbonyl)amino]phenyl]carbamate (CID 94650278) is methyl N-methyl-N-[4-[(2-oxo-1H-quinoline-4-carbonyl)amino]phenyl]carbamate.
What is the SMILES notation for methyl N-methyl-N-[4-[(2-oxo-1H-quinoline-4-carbonyl)amino]phenyl]carbamate?
The canonical SMILES for methyl N-methyl-N-[4-[(2-oxo-1H-quinoline-4-carbonyl)amino]phenyl]carbamate is COC(=O)N(C)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1.
What is the InChIKey of methyl N-methyl-N-[4-[(2-oxo-1H-quinoline-4-carbonyl)amino]phenyl]carbamate?
The InChIKey is YIEJSZYUEXWMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-22(19(25)26-2)13-9-7-12(8-10-13)20-18(24)15-11-17(23)21-16-6-4-3-5-14(15)16/h3-11H,1-2H3,(H,20,24)(H,21,23).
What are the key properties of methyl N-methyl-N-[4-[(2-oxo-1H-quinoline-4-carbonyl)amino]phenyl]carbamate?
methyl N-methyl-N-[4-[(2-oxo-1H-quinoline-4-carbonyl)amino]phenyl]carbamate has a molecular weight of 351.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-[4-[(2-oxo-1H-quinoline-4-carbonyl)amino]phenyl]carbamate is sourced from PubChem (CID 94650278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).