N-(3-chlorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide

C20H20ClN3O2 — CID 50779956

IUPACN-(3-chlorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide
SMILESCc1cc2nc(OC(C)C)c(C(=O)Nc3cccc(Cl)c3)nc2cc1C
InChIInChI=1S/C20H20ClN3O2/c1-11(2)26-20-18(19(25)22-15-7-5-6-14(21)10-15)23-16-8-12(3)13(4)9-17(16)24-20/h5-11H,1-4H3,(H,22,25)
InChIKeyMVUQJJLMNJWWQK-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.94
Rot. Bonds4

About N-(3-chlorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide

N-(3-chlorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide (PubChem CID 50779956) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide
PubChem CID50779956
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC NameN-(3-chlorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide
SMILESCc1cc2nc(OC(C)C)c(C(=O)Nc3cccc(Cl)c3)nc2cc1C
InChIInChI=1S/C20H20ClN3O2/c1-11(2)26-20-18(19(25)22-15-7-5-6-14(21)10-15)23-16-8-12(3)13(4)9-17(16)24-20/h5-11H,1-4H3,(H,22,25)
InChIKeyMVUQJJLMNJWWQK-UHFFFAOYSA-N
XLogP4.94
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide
CID 50779957
N-(3-chlorophenyl)-3-ethoxyquinoxaline-2-carboxamide
CID 50780737
N-(3-chlorophenyl)-3-methylquinoxaline-2-carboxamide
CID 110858888
3-methoxy-6,7-dimethyl-N-(4-propan-2-ylphenyl)quinoxaline-2-carboxamide
CID 50779903
3-ethoxy-N-(3-ethylphenyl)-6,7-dimethylquinoxaline-2-carboxamide
CID 50779971
N-(3-acetylphenyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide
CID 50780095
propan-2-yl 6-[(3-chlorophenyl)carbamoyl]pyridine-2-carboxylate
CID 5042562
N-[4-(4-chlorophenoxy)phenyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
CID 50780071
N-(3-chlorophenyl)-4-propan-2-yloxybenzamide
CID 823397
3-methoxy-6,7-dimethyl-N-(4-methylphenyl)quinoxaline-2-carboxamide
CID 50780048
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
N-(3-chloro-4-methylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide
CID 50779973

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide (CID 50779956) is N-(3-chlorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide is Cc1cc2nc(OC(C)C)c(C(=O)Nc3cccc(Cl)c3)nc2cc1C.
What is the InChIKey of N-(3-chlorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide?
The InChIKey is MVUQJJLMNJWWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-11(2)26-20-18(19(25)22-15-7-5-6-14(21)10-15)23-16-8-12(3)13(4)9-17(16)24-20/h5-11H,1-4H3,(H,22,25).
What are the key properties of N-(3-chlorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide?
N-(3-chlorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide is sourced from PubChem (CID 50779956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).