N-(2-bromophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

C16H13BrN2O3 — CID 66495526

IUPACN-(2-bromophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)Nc3ccccc3Br)cc21
InChIInChI=1S/C16H13BrN2O3/c17-11-4-1-2-5-13(11)19-16(22)10-8-9-12(18-15(10)21)6-3-7-14(9)20/h1-2,4-5,8H,3,6-7H2,(H,18,21)(H,19,22)
InChIKeyRWZXNKXEQRVDTE-UHFFFAOYSA-N
MW361.20 g/mol
LogP2.91
Rot. Bonds2

About N-(2-bromophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

N-(2-bromophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 66495526) has the molecular formula C16H13BrN2O3 and a molecular weight of 361.20 g/mol. Its IUPAC name is N-(2-bromophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID66495526
Molecular FormulaC16H13BrN2O3
Molecular Weight361.20 g/mol
Exact Mass360.01
IUPAC NameN-(2-bromophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)Nc3ccccc3Br)cc21
InChIInChI=1S/C16H13BrN2O3/c17-11-4-1-2-5-13(11)19-16(22)10-8-9-12(18-15(10)21)6-3-7-14(9)20/h1-2,4-5,8H,3,6-7H2,(H,18,21)(H,19,22)
InChIKeyRWZXNKXEQRVDTE-UHFFFAOYSA-N
XLogP2.91
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-1-yl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 56923268
N-(2,3-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 33330216
2,5-dioxo-N-(2-prop-2-enylsulfanylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 33331086
N-(2,4-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36704964
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 39977206
N-(5-carbamoyl-2,4-difluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 167952448
N-(3-chloro-4-fluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36764947
N-(2-bromophenyl)-1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
CID 1293972
3-bromo-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 28811865
N-(2-bromophenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497775
2,5-dioxo-N-[3-(trifluoromethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495557
N-(2-acetylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495324

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 66495526) is N-(2-bromophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is O=C1CCCc2[nH]c(=O)c(C(=O)Nc3ccccc3Br)cc21.
What is the InChIKey of N-(2-bromophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is RWZXNKXEQRVDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O3/c17-11-4-1-2-5-13(11)19-16(22)10-8-9-12(18-15(10)21)6-3-7-14(9)20/h1-2,4-5,8H,3,6-7H2,(H,18,21)(H,19,22).
What are the key properties of N-(2-bromophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
N-(2-bromophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 361.20 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 66495526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).