4-cyclopropyl-1,3-dimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide

C20H21N3O2 — CID 142296605

IUPAC4-cyclopropyl-1,3-dimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide
SMILESCC1C(=O)N(C)c2ccc(C(=O)Nc3ccccc3)cc2N1C1CC1
InChIInChI=1S/C20H21N3O2/c1-13-20(25)22(2)17-11-8-14(12-18(17)23(13)16-9-10-16)19(24)21-15-6-4-3-5-7-15/h3-8,11-13,16H,9-10H2,1-2H3,(H,21,24)
InChIKeyBWSFSYWBVMDPAF-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.27
Rot. Bonds3

About 4-cyclopropyl-1,3-dimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide

4-cyclopropyl-1,3-dimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide (PubChem CID 142296605) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-cyclopropyl-1,3-dimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-1,3-dimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide
PubChem CID142296605
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-cyclopropyl-1,3-dimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide
SMILESCC1C(=O)N(C)c2ccc(C(=O)Nc3ccccc3)cc2N1C1CC1
InChIInChI=1S/C20H21N3O2/c1-13-20(25)22(2)17-11-8-14(12-18(17)23(13)16-9-10-16)19(24)21-15-6-4-3-5-7-15/h3-8,11-13,16H,9-10H2,1-2H3,(H,21,24)
InChIKeyBWSFSYWBVMDPAF-UHFFFAOYSA-N
XLogP3.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4-methoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1,3-dimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide?
The IUPAC name of 4-cyclopropyl-1,3-dimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide (CID 142296605) is 4-cyclopropyl-1,3-dimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide.
What is the SMILES notation for 4-cyclopropyl-1,3-dimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide?
The canonical SMILES for 4-cyclopropyl-1,3-dimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide is CC1C(=O)N(C)c2ccc(C(=O)Nc3ccccc3)cc2N1C1CC1.
What is the InChIKey of 4-cyclopropyl-1,3-dimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide?
The InChIKey is BWSFSYWBVMDPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-20(25)22(2)17-11-8-14(12-18(17)23(13)16-9-10-16)19(24)21-15-6-4-3-5-7-15/h3-8,11-13,16H,9-10H2,1-2H3,(H,21,24).
What are the key properties of 4-cyclopropyl-1,3-dimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide?
4-cyclopropyl-1,3-dimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1,3-dimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide is sourced from PubChem (CID 142296605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).