4-[3-(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoyl]-1,3-dihydroquinoxalin-2-one

C19H20N4O3 — CID 155233543

IUPAC4-[3-(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1nc(C2CC2)[nH]c(=O)c1CCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C19H20N4O3/c1-11-13(19(26)22-18(20-11)12-6-7-12)8-9-17(25)23-10-16(24)21-14-4-2-3-5-15(14)23/h2-5,12H,6-10H2,1H3,(H,21,24)(H,20,22,26)
InChIKeyHCDPPZUBTLESEO-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.87
Rot. Bonds4

About 4-[3-(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoyl]-1,3-dihydroquinoxalin-2-one

4-[3-(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 155233543) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-[3-(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[3-(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID155233543
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name4-[3-(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1nc(C2CC2)[nH]c(=O)c1CCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C19H20N4O3/c1-11-13(19(26)22-18(20-11)12-6-7-12)8-9-17(25)23-10-16(24)21-14-4-2-3-5-15(14)23/h2-5,12H,6-10H2,1H3,(H,21,24)(H,20,22,26)
InChIKeyHCDPPZUBTLESEO-UHFFFAOYSA-N
XLogP1.87
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[3-(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoyl]-1,3-dihydroquinoxalin-2-one (CID 155233543) is 4-[3-(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[3-(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[3-(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoyl]-1,3-dihydroquinoxalin-2-one is Cc1nc(C2CC2)[nH]c(=O)c1CCC(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-[3-(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is HCDPPZUBTLESEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-11-13(19(26)22-18(20-11)12-6-7-12)8-9-17(25)23-10-16(24)21-14-4-2-3-5-15(14)23/h2-5,12H,6-10H2,1H3,(H,21,24)(H,20,22,26).
What are the key properties of 4-[3-(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoyl]-1,3-dihydroquinoxalin-2-one?
4-[3-(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 352.39 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 155233543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).