N-[(3-bromophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

C16H15BrN4O2 — CID 22647708

IUPACN-[(3-bromophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESO=C(NC(=O)c1ccc2c(c1)NCCN2)Nc1cccc(Br)c1
InChIInChI=1S/C16H15BrN4O2/c17-11-2-1-3-12(9-11)20-16(23)21-15(22)10-4-5-13-14(8-10)19-7-6-18-13/h1-5,8-9,18-19H,6-7H2,(H2,20,21,22,23)
InChIKeyUAWNBIDDBPBKHZ-UHFFFAOYSA-N
MW375.23 g/mol
LogP3.25
Rot. Bonds2

About N-[(3-bromophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

N-[(3-bromophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (PubChem CID 22647708) has the molecular formula C16H15BrN4O2 and a molecular weight of 375.23 g/mol. Its IUPAC name is N-[(3-bromophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
PubChem CID22647708
Molecular FormulaC16H15BrN4O2
Molecular Weight375.23 g/mol
Exact Mass374.04
IUPAC NameN-[(3-bromophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESO=C(NC(=O)c1ccc2c(c1)NCCN2)Nc1cccc(Br)c1
InChIInChI=1S/C16H15BrN4O2/c17-11-2-1-3-12(9-11)20-16(23)21-15(22)10-4-5-13-14(8-10)19-7-6-18-13/h1-5,8-9,18-19H,6-7H2,(H2,20,21,22,23)
InChIKeyUAWNBIDDBPBKHZ-UHFFFAOYSA-N
XLogP3.25
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 53.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(1,2,3,4-tetrahydroquinoxaline-6-carbonylcarbamoylamino)benzoic acid
CID 22647665
sodium 2-chloro-5-(1,2,3,4-tetrahydroquinoxaline-6-carbonylcarbamoylamino)benzoate
CID 23703076
N-[(3-bromophenyl)carbamoyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 22647718
4-N-(3-bromophenyl)benzene-1,4-dicarboxamide
CID 30844565
3-[(4-carboxybenzoyl)carbamoylamino]benzoic acid
CID 139741227
4-[(3-bromophenyl)carbamoylamino]-4-oxobutanoic acid
CID 28746367
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
N-[(4-bromophenyl)carbamoyl]naphthalene-2-carboxamide
CID 980589
N-(3-bromophenyl)-4-carbamothioylbenzamide
CID 24708303
3-amino-4-bromo-N-(3-bromophenyl)benzamide
CID 61091693
4-bromo-N-(3-bromophenyl)-3-chlorobenzamide
CID 81295310
N-[(3-benzoylphenyl)carbamoyl]quinoxaline-6-carboxamide
CID 10272063

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The IUPAC name of N-[(3-bromophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (CID 22647708) is N-[(3-bromophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is O=C(NC(=O)c1ccc2c(c1)NCCN2)Nc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The InChIKey is UAWNBIDDBPBKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O2/c17-11-2-1-3-12(9-11)20-16(23)21-15(22)10-4-5-13-14(8-10)19-7-6-18-13/h1-5,8-9,18-19H,6-7H2,(H2,20,21,22,23).
What are the key properties of N-[(3-bromophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
N-[(3-bromophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide has a molecular weight of 375.23 g/mol, XLogP of 3.25, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is sourced from PubChem (CID 22647708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).