N-[(3-chlorophenyl)carbamoyl]quinoxaline-6-carboxamide;N-[(3-chlorophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide;quinoxaline-6-carboxamide

C41H33Cl2N11O5 — CID 157191444

IUPACN-[(3-chlorophenyl)carbamoyl]quinoxaline-6-carboxamide;N-[(3-chlorophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide;quinoxaline-6-carboxamide
SMILESNC(=O)c1ccc2nccnc2c1.O=C(NC(=O)c1ccc2c(c1)NCCN2)Nc1cccc(Cl)c1.O=C(NC(=O)c1ccc2nccnc2c1)Nc1cccc(Cl)c1
InChIInChI=1S/C16H15ClN4O2.C16H11ClN4O2.C9H7N3O/c2*17-11-2-1-3-12(9-11)20-16(23)21-15(22)10-4-5-13-14(8-10)19-7-6-18-13;10-9(13)6-1-2-7-8(5-6)12-4-3-11-7/h1-5,8-9,18-19H,6-7H2,(H2,20,21,22,23);1-9H,(H2,20,21,22,23);1-5H,(H2,10,13)
InChIKeyAPSZSYUYFDUANB-UHFFFAOYSA-N
MW830.69 g/mol
LogP7.11
Rot. Bonds5

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

N-[(3-chlorophenyl)carbamoyl]quinoxaline-6-carboxamide;N-[(3-chlorophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide;quinoxaline-6-carboxamide (PubChem CID 157191444) has the molecular formula C41H33Cl2N11O5 and a molecular weight of 830.69 g/mol. Its IUPAC name is N-[(3-chlorophenyl)carbamoyl]quinoxaline-6-carboxamide;N-[(3-chlorophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide;quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)carbamoyl]quinoxaline-6-carboxamide;N-[(3-chlorophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide;quinoxaline-6-carboxamide
PubChem CID157191444
Molecular FormulaC41H33Cl2N11O5
Molecular Weight830.69 g/mol
Exact Mass829.20
IUPAC NameN-[(3-chlorophenyl)carbamoyl]quinoxaline-6-carboxamide;N-[(3-chlorophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide;quinoxaline-6-carboxamide
SMILESNC(=O)c1ccc2nccnc2c1.O=C(NC(=O)c1ccc2c(c1)NCCN2)Nc1cccc(Cl)c1.O=C(NC(=O)c1ccc2nccnc2c1)Nc1cccc(Cl)c1
InChIInChI=1S/C16H15ClN4O2.C16H11ClN4O2.C9H7N3O/c2*17-11-2-1-3-12(9-11)20-16(23)21-15(22)10-4-5-13-14(8-10)19-7-6-18-13;10-9(13)6-1-2-7-8(5-6)12-4-3-11-7/h1-5,8-9,18-19H,6-7H2,(H2,20,21,22,23);1-9H,(H2,20,21,22,23);1-5H,(H2,10,13)
InChIKeyAPSZSYUYFDUANB-UHFFFAOYSA-N
XLogP7.11
TPSA235.11 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500830.69
LogP ≤ 57.11
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)carbamoyl]quinoxaline-6-carboxamide;N-[(3-chlorophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide;quinoxaline-6-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)carbamoyl]quinoxaline-6-carboxamide;N-[(3-chlorophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide;quinoxaline-6-carboxamide (CID 157191444) is N-[(3-chlorophenyl)carbamoyl]quinoxaline-6-carboxamide;N-[(3-chlorophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide;quinoxaline-6-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)carbamoyl]quinoxaline-6-carboxamide;N-[(3-chlorophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide;quinoxaline-6-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)carbamoyl]quinoxaline-6-carboxamide;N-[(3-chlorophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide;quinoxaline-6-carboxamide is NC(=O)c1ccc2nccnc2c1.O=C(NC(=O)c1ccc2c(c1)NCCN2)Nc1cccc(Cl)c1.O=C(NC(=O)c1ccc2nccnc2c1)Nc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)carbamoyl]quinoxaline-6-carboxamide;N-[(3-chlorophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide;quinoxaline-6-carboxamide?
The InChIKey is APSZSYUYFDUANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2.C16H11ClN4O2.C9H7N3O/c2*17-11-2-1-3-12(9-11)20-16(23)21-15(22)10-4-5-13-14(8-10)19-7-6-18-13;10-9(13)6-1-2-7-8(5-6)12-4-3-11-7/h1-5,8-9,18-19H,6-7H2,(H2,20,21,22,23);1-9H,(H2,20,21,22,23);1-5H,(H2,10,13).
What are the key properties of N-[(3-chlorophenyl)carbamoyl]quinoxaline-6-carboxamide;N-[(3-chlorophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide;quinoxaline-6-carboxamide?
N-[(3-chlorophenyl)carbamoyl]quinoxaline-6-carboxamide;N-[(3-chlorophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide;quinoxaline-6-carboxamide has a molecular weight of 830.69 g/mol, XLogP of 7.11, 5 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)carbamoyl]quinoxaline-6-carboxamide;N-[(3-chlorophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide;quinoxaline-6-carboxamide is sourced from PubChem (CID 157191444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).