6-bromo-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

C16H18BrN3O3 — CID 86789154

IUPAC6-bromo-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)c1c[nH]c2ccc(Br)cc2c1=O
InChIInChI=1S/C16H18BrN3O3/c1-3-18-14(21)9-20(4-2)16(23)12-8-19-13-6-5-10(17)7-11(13)15(12)22/h5-8H,3-4,9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeySCNYHFFRRDMCMJ-UHFFFAOYSA-N
MW380.24 g/mol
LogP1.89
Rot. Bonds5

About 6-bromo-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

6-bromo-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 86789154) has the molecular formula C16H18BrN3O3 and a molecular weight of 380.24 g/mol. Its IUPAC name is 6-bromo-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID86789154
Molecular FormulaC16H18BrN3O3
Molecular Weight380.24 g/mol
Exact Mass379.05
IUPAC Name6-bromo-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)c1c[nH]c2ccc(Br)cc2c1=O
InChIInChI=1S/C16H18BrN3O3/c1-3-18-14(21)9-20(4-2)16(23)12-8-19-13-6-5-10(17)7-11(13)15(12)22/h5-8H,3-4,9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeySCNYHFFRRDMCMJ-UHFFFAOYSA-N
XLogP1.89
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-bromo-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172682995
6-bromo-N-methyl-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 141109801
2-[ethyl-(4-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 61021751
6-[(3,5-dimethylphenyl)sulfamoyl]-N,N-diethyl-4-oxo-1H-quinoline-3-carboxamide
CID 3245541
6-bromo-N-(3-(18F)fluoropropyl)-4-oxo-1H-quinoline-3-carboxamide
CID 25235213
5-bromo-N,N-dimethyl-1H-indole-3-carboxamide
CID 22934720
6-bromo-3-ethyl-1H-quinolin-4-one
CID 123462325
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
2,4-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 61107401
1-(5-bromo-1H-indol-3-yl)-2-(ethylamino)propan-1-one
CID 162765701
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-3-carboxamide
CID 60659810
methyl 2-[(5-amino-1H-indole-3-carbonyl)-ethylamino]acetate
CID 63116714

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-bromo-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (CID 86789154) is 6-bromo-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-bromo-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-bromo-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is CCNC(=O)CN(CC)C(=O)c1c[nH]c2ccc(Br)cc2c1=O.
What is the InChIKey of 6-bromo-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is SCNYHFFRRDMCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O3/c1-3-18-14(21)9-20(4-2)16(23)12-8-19-13-6-5-10(17)7-11(13)15(12)22/h5-8H,3-4,9H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 6-bromo-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
6-bromo-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 380.24 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 86789154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).