2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-8-methyl-3H-quinazolin-4-one

C19H17N5O2 — CID 135440093

IUPAC2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-8-methyl-3H-quinazolin-4-one
SMILESCOc1ccc2nc(Nc3nc4c(C)cccc4c(=O)[nH]3)nc(C)c2c1
InChIInChI=1S/C19H17N5O2/c1-10-5-4-6-13-16(10)22-19(23-17(13)25)24-18-20-11(2)14-9-12(26-3)7-8-15(14)21-18/h4-9H,1-3H3,(H2,20,21,22,23,24,25)
InChIKeyWRMRLTOSYXGFJP-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.24
Rot. Bonds3

About 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-8-methyl-3H-quinazolin-4-one

2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-8-methyl-3H-quinazolin-4-one (PubChem CID 135440093) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-8-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-8-methyl-3H-quinazolin-4-one
PubChem CID135440093
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-8-methyl-3H-quinazolin-4-one
SMILESCOc1ccc2nc(Nc3nc4c(C)cccc4c(=O)[nH]3)nc(C)c2c1
InChIInChI=1S/C19H17N5O2/c1-10-5-4-6-13-16(10)22-19(23-17(13)25)24-18-20-11(2)14-9-12(26-3)7-8-15(14)21-18/h4-9H,1-3H3,(H2,20,21,22,23,24,25)
InChIKeyWRMRLTOSYXGFJP-UHFFFAOYSA-N
XLogP3.24
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-8-methyl-3H-quinazolin-4-one?
The IUPAC name of 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-8-methyl-3H-quinazolin-4-one (CID 135440093) is 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-8-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-8-methyl-3H-quinazolin-4-one?
The canonical SMILES for 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-8-methyl-3H-quinazolin-4-one is COc1ccc2nc(Nc3nc4c(C)cccc4c(=O)[nH]3)nc(C)c2c1.
What is the InChIKey of 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-8-methyl-3H-quinazolin-4-one?
The InChIKey is WRMRLTOSYXGFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-10-5-4-6-13-16(10)22-19(23-17(13)25)24-18-20-11(2)14-9-12(26-3)7-8-15(14)21-18/h4-9H,1-3H3,(H2,20,21,22,23,24,25).
What are the key properties of 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-8-methyl-3H-quinazolin-4-one?
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-8-methyl-3H-quinazolin-4-one has a molecular weight of 347.38 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-8-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 135440093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).