7-methoxy-1-methyl-4-(2-methylquinazolin-4-yl)-3H-quinoxalin-2-one

C19H18N4O2 — CID 71541770

IUPAC7-methoxy-1-methyl-4-(2-methylquinazolin-4-yl)-3H-quinoxalin-2-one
SMILESCOc1ccc2c(c1)N(C)C(=O)CN2c1nc(C)nc2ccccc12
InChIInChI=1S/C19H18N4O2/c1-12-20-15-7-5-4-6-14(15)19(21-12)23-11-18(24)22(2)17-10-13(25-3)8-9-16(17)23/h4-10H,11H2,1-3H3
InChIKeyUMQBTOASEXHQBX-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.06
Rot. Bonds2

About 7-methoxy-1-methyl-4-(2-methylquinazolin-4-yl)-3H-quinoxalin-2-one

7-methoxy-1-methyl-4-(2-methylquinazolin-4-yl)-3H-quinoxalin-2-one (PubChem CID 71541770) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 7-methoxy-1-methyl-4-(2-methylquinazolin-4-yl)-3H-quinoxalin-2-one.

Molecular Properties

Compound Name7-methoxy-1-methyl-4-(2-methylquinazolin-4-yl)-3H-quinoxalin-2-one
PubChem CID71541770
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name7-methoxy-1-methyl-4-(2-methylquinazolin-4-yl)-3H-quinoxalin-2-one
SMILESCOc1ccc2c(c1)N(C)C(=O)CN2c1nc(C)nc2ccccc12
InChIInChI=1S/C19H18N4O2/c1-12-20-15-7-5-4-6-14(15)19(21-12)23-11-18(24)22(2)17-10-13(25-3)8-9-16(17)23/h4-10H,11H2,1-3H3
InChIKeyUMQBTOASEXHQBX-UHFFFAOYSA-N
XLogP3.06
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-methyl-4-(2-methylquinazolin-4-yl)-3H-quinoxalin-2-one?
The IUPAC name of 7-methoxy-1-methyl-4-(2-methylquinazolin-4-yl)-3H-quinoxalin-2-one (CID 71541770) is 7-methoxy-1-methyl-4-(2-methylquinazolin-4-yl)-3H-quinoxalin-2-one.
What is the SMILES notation for 7-methoxy-1-methyl-4-(2-methylquinazolin-4-yl)-3H-quinoxalin-2-one?
The canonical SMILES for 7-methoxy-1-methyl-4-(2-methylquinazolin-4-yl)-3H-quinoxalin-2-one is COc1ccc2c(c1)N(C)C(=O)CN2c1nc(C)nc2ccccc12.
What is the InChIKey of 7-methoxy-1-methyl-4-(2-methylquinazolin-4-yl)-3H-quinoxalin-2-one?
The InChIKey is UMQBTOASEXHQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-12-20-15-7-5-4-6-14(15)19(21-12)23-11-18(24)22(2)17-10-13(25-3)8-9-16(17)23/h4-10H,11H2,1-3H3.
What are the key properties of 7-methoxy-1-methyl-4-(2-methylquinazolin-4-yl)-3H-quinoxalin-2-one?
7-methoxy-1-methyl-4-(2-methylquinazolin-4-yl)-3H-quinoxalin-2-one has a molecular weight of 334.38 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methyl-4-(2-methylquinazolin-4-yl)-3H-quinoxalin-2-one is sourced from PubChem (CID 71541770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).