N-(3-hydroxyphenyl)-N-methylquinoxaline-2-carboxamide

C16H13N3O2 — CID 107736003

IUPACN-(3-hydroxyphenyl)-N-methylquinoxaline-2-carboxamide
SMILESCN(C(=O)c1cnc2ccccc2n1)c1cccc(O)c1
InChIInChI=1S/C16H13N3O2/c1-19(11-5-4-6-12(20)9-11)16(21)15-10-17-13-7-2-3-8-14(13)18-15/h2-10,20H,1H3
InChIKeySMAZPWVCXLIERQ-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.61
Rot. Bonds2

About N-(3-hydroxyphenyl)-N-methylquinoxaline-2-carboxamide

N-(3-hydroxyphenyl)-N-methylquinoxaline-2-carboxamide (PubChem CID 107736003) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-N-methylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-N-methylquinoxaline-2-carboxamide
PubChem CID107736003
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-(3-hydroxyphenyl)-N-methylquinoxaline-2-carboxamide
SMILESCN(C(=O)c1cnc2ccccc2n1)c1cccc(O)c1
InChIInChI=1S/C16H13N3O2/c1-19(11-5-4-6-12(20)9-11)16(21)15-10-17-13-7-2-3-8-14(13)18-15/h2-10,20H,1H3
InChIKeySMAZPWVCXLIERQ-UHFFFAOYSA-N
XLogP2.61
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-N-methylquinoxaline-2-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)-N-methylquinoxaline-2-carboxamide (CID 107736003) is N-(3-hydroxyphenyl)-N-methylquinoxaline-2-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-N-methylquinoxaline-2-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-N-methylquinoxaline-2-carboxamide is CN(C(=O)c1cnc2ccccc2n1)c1cccc(O)c1.
What is the InChIKey of N-(3-hydroxyphenyl)-N-methylquinoxaline-2-carboxamide?
The InChIKey is SMAZPWVCXLIERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-19(11-5-4-6-12(20)9-11)16(21)15-10-17-13-7-2-3-8-14(13)18-15/h2-10,20H,1H3.
What are the key properties of N-(3-hydroxyphenyl)-N-methylquinoxaline-2-carboxamide?
N-(3-hydroxyphenyl)-N-methylquinoxaline-2-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-N-methylquinoxaline-2-carboxamide is sourced from PubChem (CID 107736003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).