8-[methoxy-(5-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one

C19H17N5O3 — CID 136610639

IUPAC8-[methoxy-(5-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
SMILESCOc1cccc2nc(N(OC)c3cccc4c(=O)[nH]cnc34)nc(C)c12
InChIInChI=1S/C19H17N5O3/c1-11-16-13(7-5-9-15(16)26-2)23-19(22-11)24(27-3)14-8-4-6-12-17(14)20-10-21-18(12)25/h4-10H,1-3H3,(H,20,21,25)
InChIKeyZQRDRFJQXUNFAF-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.88
Rot. Bonds4

About 8-[methoxy-(5-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one

8-[methoxy-(5-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one (PubChem CID 136610639) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 8-[methoxy-(5-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-[methoxy-(5-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
PubChem CID136610639
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name8-[methoxy-(5-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
SMILESCOc1cccc2nc(N(OC)c3cccc4c(=O)[nH]cnc34)nc(C)c12
InChIInChI=1S/C19H17N5O3/c1-11-16-13(7-5-9-15(16)26-2)23-19(22-11)24(27-3)14-8-4-6-12-17(14)20-10-21-18(12)25/h4-10H,1-3H3,(H,20,21,25)
InChIKeyZQRDRFJQXUNFAF-UHFFFAOYSA-N
XLogP2.88
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[methoxy-(5-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one?
The IUPAC name of 8-[methoxy-(5-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one (CID 136610639) is 8-[methoxy-(5-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one.
What is the SMILES notation for 8-[methoxy-(5-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one?
The canonical SMILES for 8-[methoxy-(5-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one is COc1cccc2nc(N(OC)c3cccc4c(=O)[nH]cnc34)nc(C)c12.
What is the InChIKey of 8-[methoxy-(5-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one?
The InChIKey is ZQRDRFJQXUNFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-11-16-13(7-5-9-15(16)26-2)23-19(22-11)24(27-3)14-8-4-6-12-17(14)20-10-21-18(12)25/h4-10H,1-3H3,(H,20,21,25).
What are the key properties of 8-[methoxy-(5-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one?
8-[methoxy-(5-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one has a molecular weight of 363.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[methoxy-(5-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one is sourced from PubChem (CID 136610639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).