7-methoxy-4-(2-methylquinazolin-4-yl)-1,3-dihydroquinoxalin-2-one

C18H16N4O2 — CID 71543088

IUPAC7-methoxy-4-(2-methylquinazolin-4-yl)-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc2c(c1)NC(=O)CN2c1nc(C)nc2ccccc12
InChIInChI=1S/C18H16N4O2/c1-11-19-14-6-4-3-5-13(14)18(20-11)22-10-17(23)21-15-9-12(24-2)7-8-16(15)22/h3-9H,10H2,1-2H3,(H,21,23)
InChIKeyLTTPRSPHFQPOMT-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.04
Rot. Bonds2

About 7-methoxy-4-(2-methylquinazolin-4-yl)-1,3-dihydroquinoxalin-2-one

7-methoxy-4-(2-methylquinazolin-4-yl)-1,3-dihydroquinoxalin-2-one (PubChem CID 71543088) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 7-methoxy-4-(2-methylquinazolin-4-yl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name7-methoxy-4-(2-methylquinazolin-4-yl)-1,3-dihydroquinoxalin-2-one
PubChem CID71543088
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name7-methoxy-4-(2-methylquinazolin-4-yl)-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc2c(c1)NC(=O)CN2c1nc(C)nc2ccccc12
InChIInChI=1S/C18H16N4O2/c1-11-19-14-6-4-3-5-13(14)18(20-11)22-10-17(23)21-15-9-12(24-2)7-8-16(15)22/h3-9H,10H2,1-2H3,(H,21,23)
InChIKeyLTTPRSPHFQPOMT-UHFFFAOYSA-N
XLogP3.04
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(2-methylquinazolin-4-yl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 7-methoxy-4-(2-methylquinazolin-4-yl)-1,3-dihydroquinoxalin-2-one (CID 71543088) is 7-methoxy-4-(2-methylquinazolin-4-yl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 7-methoxy-4-(2-methylquinazolin-4-yl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 7-methoxy-4-(2-methylquinazolin-4-yl)-1,3-dihydroquinoxalin-2-one is COc1ccc2c(c1)NC(=O)CN2c1nc(C)nc2ccccc12.
What is the InChIKey of 7-methoxy-4-(2-methylquinazolin-4-yl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is LTTPRSPHFQPOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-11-19-14-6-4-3-5-13(14)18(20-11)22-10-17(23)21-15-9-12(24-2)7-8-16(15)22/h3-9H,10H2,1-2H3,(H,21,23).
What are the key properties of 7-methoxy-4-(2-methylquinazolin-4-yl)-1,3-dihydroquinoxalin-2-one?
7-methoxy-4-(2-methylquinazolin-4-yl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 320.35 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(2-methylquinazolin-4-yl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 71543088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).