ethyl N-[4-hydroxy-1-methyl-3-[methyl(phenyl)carbamoyl]-2-oxoquinolin-6-yl]carbamate

C21H21N3O5 — CID 139667758

IUPACethyl N-[4-hydroxy-1-methyl-3-[methyl(phenyl)carbamoyl]-2-oxoquinolin-6-yl]carbamate
SMILESCCOC(=O)Nc1ccc2c(c1)c(O)c(C(=O)N(C)c1ccccc1)c(=O)n2C
InChIInChI=1S/C21H21N3O5/c1-4-29-21(28)22-13-10-11-16-15(12-13)18(25)17(20(27)24(16)3)19(26)23(2)14-8-6-5-7-9-14/h5-12,25H,4H2,1-3H3,(H,22,28)
InChIKeyBRNHKIIVGMOSAH-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.09
Rot. Bonds4

About ethyl N-[4-hydroxy-1-methyl-3-[methyl(phenyl)carbamoyl]-2-oxoquinolin-6-yl]carbamate

ethyl N-[4-hydroxy-1-methyl-3-[methyl(phenyl)carbamoyl]-2-oxoquinolin-6-yl]carbamate (PubChem CID 139667758) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is ethyl N-[4-hydroxy-1-methyl-3-[methyl(phenyl)carbamoyl]-2-oxoquinolin-6-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-hydroxy-1-methyl-3-[methyl(phenyl)carbamoyl]-2-oxoquinolin-6-yl]carbamate
PubChem CID139667758
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Nameethyl N-[4-hydroxy-1-methyl-3-[methyl(phenyl)carbamoyl]-2-oxoquinolin-6-yl]carbamate
SMILESCCOC(=O)Nc1ccc2c(c1)c(O)c(C(=O)N(C)c1ccccc1)c(=O)n2C
InChIInChI=1S/C21H21N3O5/c1-4-29-21(28)22-13-10-11-16-15(12-13)18(25)17(20(27)24(16)3)19(26)23(2)14-8-6-5-7-9-14/h5-12,25H,4H2,1-3H3,(H,22,28)
InChIKeyBRNHKIIVGMOSAH-UHFFFAOYSA-N
XLogP3.09
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-benzamido-4-(methoxymethoxy)-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 139667761
11-[4-hydroxy-1-methyl-3-[methyl(phenyl)carbamoyl]-2-oxoquinolin-6-yl]sulfanylundecanoic acid
CID 139667726
4-(ethylamino)-N,1,5-trimethyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 22461072
4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenyl-1-propylquinoline-3-carboxamide
CID 54726174
4-hydroxy-1-methyl-6-methylsulfanyl-2-oxo-N-phenyl-N-(2-propoxyethyl)quinoline-3-carboxamide
CID 139664827
6-chloro-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54717880
ethyl 4-hydroxy-1-methyl-2-oxo-7-phenoxyquinoline-3-carboxylate
CID 76852698
N-benzyl-4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide
CID 54728929
3-[[2-(ethylamino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54820939
ethyl 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]benzoate
CID 54688157
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
4-hydroxy-1-methyl-6-methylsulfanyl-2-oxo-N-phenyl-N-(2-phenylmethoxyethyl)quinoline-3-carboxamide
CID 139664822

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-hydroxy-1-methyl-3-[methyl(phenyl)carbamoyl]-2-oxoquinolin-6-yl]carbamate?
The IUPAC name of ethyl N-[4-hydroxy-1-methyl-3-[methyl(phenyl)carbamoyl]-2-oxoquinolin-6-yl]carbamate (CID 139667758) is ethyl N-[4-hydroxy-1-methyl-3-[methyl(phenyl)carbamoyl]-2-oxoquinolin-6-yl]carbamate.
What is the SMILES notation for ethyl N-[4-hydroxy-1-methyl-3-[methyl(phenyl)carbamoyl]-2-oxoquinolin-6-yl]carbamate?
The canonical SMILES for ethyl N-[4-hydroxy-1-methyl-3-[methyl(phenyl)carbamoyl]-2-oxoquinolin-6-yl]carbamate is CCOC(=O)Nc1ccc2c(c1)c(O)c(C(=O)N(C)c1ccccc1)c(=O)n2C.
What is the InChIKey of ethyl N-[4-hydroxy-1-methyl-3-[methyl(phenyl)carbamoyl]-2-oxoquinolin-6-yl]carbamate?
The InChIKey is BRNHKIIVGMOSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-4-29-21(28)22-13-10-11-16-15(12-13)18(25)17(20(27)24(16)3)19(26)23(2)14-8-6-5-7-9-14/h5-12,25H,4H2,1-3H3,(H,22,28).
What are the key properties of ethyl N-[4-hydroxy-1-methyl-3-[methyl(phenyl)carbamoyl]-2-oxoquinolin-6-yl]carbamate?
ethyl N-[4-hydroxy-1-methyl-3-[methyl(phenyl)carbamoyl]-2-oxoquinolin-6-yl]carbamate has a molecular weight of 395.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-hydroxy-1-methyl-3-[methyl(phenyl)carbamoyl]-2-oxoquinolin-6-yl]carbamate is sourced from PubChem (CID 139667758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).