ethyl N-[(6-chloro-2-methylquinoline-3-carbonyl)amino]carbamate

C14H14ClN3O3 — CID 36943257

IUPACethyl N-[(6-chloro-2-methylquinoline-3-carbonyl)amino]carbamate
SMILESCCOC(=O)NNC(=O)c1cc2cc(Cl)ccc2nc1C
InChIInChI=1S/C14H14ClN3O3/c1-3-21-14(20)18-17-13(19)11-7-9-6-10(15)4-5-12(9)16-8(11)2/h4-7H,3H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyGPXXSTOOJIUYMX-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.59
Rot. Bonds2

About ethyl N-[(6-chloro-2-methylquinoline-3-carbonyl)amino]carbamate

ethyl N-[(6-chloro-2-methylquinoline-3-carbonyl)amino]carbamate (PubChem CID 36943257) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is ethyl N-[(6-chloro-2-methylquinoline-3-carbonyl)amino]carbamate.

Molecular Properties

Compound Nameethyl N-[(6-chloro-2-methylquinoline-3-carbonyl)amino]carbamate
PubChem CID36943257
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Nameethyl N-[(6-chloro-2-methylquinoline-3-carbonyl)amino]carbamate
SMILESCCOC(=O)NNC(=O)c1cc2cc(Cl)ccc2nc1C
InChIInChI=1S/C14H14ClN3O3/c1-3-21-14(20)18-17-13(19)11-7-9-6-10(15)4-5-12(9)16-8(11)2/h4-7H,3H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyGPXXSTOOJIUYMX-UHFFFAOYSA-N
XLogP2.59
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[(3-chlorobenzoyl)amino]carbamate
CID 7979102
6-chloro-N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide
CID 41377444
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-3-carboxamide
CID 55474879
6-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
CID 29370670
[2-(3-methylbutylamino)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate
CID 46676349
6-chloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylquinoline-3-carboxamide
CID 55724271
N-(3-anilinopropyl)-6-chloro-2-methylquinoline-3-carboxamide
CID 56586435
6-chloro-N-(2,4-dimethoxyphenyl)-2-methylquinoline-3-carboxamide
CID 17404602
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 6-chloro-2-methylquinoline-3-carboxylate
CID 46676127
6-chloro-2-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)quinoline-3-carboxamide
CID 55522789
6-chloro-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methylquinoline-3-carboxamide
CID 37012318
6-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)quinoline-3-carboxamide
CID 37040651

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(6-chloro-2-methylquinoline-3-carbonyl)amino]carbamate?
The IUPAC name of ethyl N-[(6-chloro-2-methylquinoline-3-carbonyl)amino]carbamate (CID 36943257) is ethyl N-[(6-chloro-2-methylquinoline-3-carbonyl)amino]carbamate.
What is the SMILES notation for ethyl N-[(6-chloro-2-methylquinoline-3-carbonyl)amino]carbamate?
The canonical SMILES for ethyl N-[(6-chloro-2-methylquinoline-3-carbonyl)amino]carbamate is CCOC(=O)NNC(=O)c1cc2cc(Cl)ccc2nc1C.
What is the InChIKey of ethyl N-[(6-chloro-2-methylquinoline-3-carbonyl)amino]carbamate?
The InChIKey is GPXXSTOOJIUYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-3-21-14(20)18-17-13(19)11-7-9-6-10(15)4-5-12(9)16-8(11)2/h4-7H,3H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of ethyl N-[(6-chloro-2-methylquinoline-3-carbonyl)amino]carbamate?
ethyl N-[(6-chloro-2-methylquinoline-3-carbonyl)amino]carbamate has a molecular weight of 307.74 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(6-chloro-2-methylquinoline-3-carbonyl)amino]carbamate is sourced from PubChem (CID 36943257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).