N-[2-(3-chlorophenyl)-2-methoxypropyl]quinoxaline-2-carboxamide

C19H18ClN3O2 — CID 90599898

IUPACN-[2-(3-chlorophenyl)-2-methoxypropyl]quinoxaline-2-carboxamide
SMILESCOC(C)(CNC(=O)c1cnc2ccccc2n1)c1cccc(Cl)c1
InChIInChI=1S/C19H18ClN3O2/c1-19(25-2,13-6-5-7-14(20)10-13)12-22-18(24)17-11-21-15-8-3-4-9-16(15)23-17/h3-11H,12H2,1-2H3,(H,22,24)
InChIKeyQPNWVGCTZIOPQJ-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.57
Rot. Bonds5

About N-[2-(3-chlorophenyl)-2-methoxypropyl]quinoxaline-2-carboxamide

N-[2-(3-chlorophenyl)-2-methoxypropyl]quinoxaline-2-carboxamide (PubChem CID 90599898) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-methoxypropyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-methoxypropyl]quinoxaline-2-carboxamide
PubChem CID90599898
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC NameN-[2-(3-chlorophenyl)-2-methoxypropyl]quinoxaline-2-carboxamide
SMILESCOC(C)(CNC(=O)c1cnc2ccccc2n1)c1cccc(Cl)c1
InChIInChI=1S/C19H18ClN3O2/c1-19(25-2,13-6-5-7-14(20)10-13)12-22-18(24)17-11-21-15-8-3-4-9-16(15)23-17/h3-11H,12H2,1-2H3,(H,22,24)
InChIKeyQPNWVGCTZIOPQJ-UHFFFAOYSA-N
XLogP3.57
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-methoxypropyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-methoxypropyl]quinoxaline-2-carboxamide (CID 90599898) is N-[2-(3-chlorophenyl)-2-methoxypropyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-methoxypropyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-methoxypropyl]quinoxaline-2-carboxamide is COC(C)(CNC(=O)c1cnc2ccccc2n1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-methoxypropyl]quinoxaline-2-carboxamide?
The InChIKey is QPNWVGCTZIOPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-19(25-2,13-6-5-7-14(20)10-13)12-22-18(24)17-11-21-15-8-3-4-9-16(15)23-17/h3-11H,12H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(3-chlorophenyl)-2-methoxypropyl]quinoxaline-2-carboxamide?
N-[2-(3-chlorophenyl)-2-methoxypropyl]quinoxaline-2-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-methoxypropyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 90599898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).