N-(2-chloro-4,5-dimethoxyphenyl)quinoxaline-6-carboxamide

C17H14ClN3O3 — CID 17443015

IUPACN-(2-chloro-4,5-dimethoxyphenyl)quinoxaline-6-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)c2ccc3nccnc3c2)cc1OC
InChIInChI=1S/C17H14ClN3O3/c1-23-15-8-11(18)13(9-16(15)24-2)21-17(22)10-3-4-12-14(7-10)20-6-5-19-12/h3-9H,1-2H3,(H,21,22)
InChIKeyKZAAJLLFFPJDPO-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.55
Rot. Bonds4

About N-(2-chloro-4,5-dimethoxyphenyl)quinoxaline-6-carboxamide

N-(2-chloro-4,5-dimethoxyphenyl)quinoxaline-6-carboxamide (PubChem CID 17443015) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-(2-chloro-4,5-dimethoxyphenyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,5-dimethoxyphenyl)quinoxaline-6-carboxamide
PubChem CID17443015
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC NameN-(2-chloro-4,5-dimethoxyphenyl)quinoxaline-6-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)c2ccc3nccnc3c2)cc1OC
InChIInChI=1S/C17H14ClN3O3/c1-23-15-8-11(18)13(9-16(15)24-2)21-17(22)10-3-4-12-14(7-10)20-6-5-19-12/h3-9H,1-2H3,(H,21,22)
InChIKeyKZAAJLLFFPJDPO-UHFFFAOYSA-N
XLogP3.55
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)quinoxaline-6-carboxamide
CID 110690558
N-(2-chloro-4,5-dimethoxyphenyl)-2-fluoropyridine-4-carboxamide
CID 61294193
N-(2-chloro-4,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149498
2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16776960
N-(2-chloro-4,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 60709422
N-(4-chloro-2,5-dimethoxyphenyl)-1,3-benzoxazole-6-carboxamide
CID 110765168
2-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 103754076
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55386862
5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 62954749
N-(2,5-dichloro-4-methoxyphenyl)pyridine-3-carboxamide;hydrochloride
CID 110777674
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
2-chloro-N-(4,5-dimethoxy-2-methylphenyl)pyridine-4-carboxamide
CID 32694497

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)quinoxaline-6-carboxamide?
The IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)quinoxaline-6-carboxamide (CID 17443015) is N-(2-chloro-4,5-dimethoxyphenyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(2-chloro-4,5-dimethoxyphenyl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(2-chloro-4,5-dimethoxyphenyl)quinoxaline-6-carboxamide is COc1cc(Cl)c(NC(=O)c2ccc3nccnc3c2)cc1OC.
What is the InChIKey of N-(2-chloro-4,5-dimethoxyphenyl)quinoxaline-6-carboxamide?
The InChIKey is KZAAJLLFFPJDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c1-23-15-8-11(18)13(9-16(15)24-2)21-17(22)10-3-4-12-14(7-10)20-6-5-19-12/h3-9H,1-2H3,(H,21,22).
What are the key properties of N-(2-chloro-4,5-dimethoxyphenyl)quinoxaline-6-carboxamide?
N-(2-chloro-4,5-dimethoxyphenyl)quinoxaline-6-carboxamide has a molecular weight of 343.77 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,5-dimethoxyphenyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 17443015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).