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

C19H17N5O3 — CID 135448199

IUPAC6-methoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
SMILESCOc1ccc2nc(Nc3nc4ccc(OC)cc4c(=O)[nH]3)nc(C)c2c1
InChIInChI=1S/C19H17N5O3/c1-10-13-8-11(26-2)4-6-15(13)21-18(20-10)24-19-22-16-7-5-12(27-3)9-14(16)17(25)23-19/h4-9H,1-3H3,(H2,20,21,22,23,24,25)
InChIKeyYOSIJKZTPDOXTN-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.94
Rot. Bonds4

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

6-methoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one (PubChem CID 135448199) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 6-methoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-methoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
PubChem CID135448199
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name6-methoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
SMILESCOc1ccc2nc(Nc3nc4ccc(OC)cc4c(=O)[nH]3)nc(C)c2c1
InChIInChI=1S/C19H17N5O3/c1-10-13-8-11(26-2)4-6-15(13)21-18(20-10)24-19-22-16-7-5-12(27-3)9-14(16)17(25)23-19/h4-9H,1-3H3,(H2,20,21,22,23,24,25)
InChIKeyYOSIJKZTPDOXTN-UHFFFAOYSA-N
XLogP2.94
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one?
The IUPAC name of 6-methoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one (CID 135448199) is 6-methoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one.
What is the SMILES notation for 6-methoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one?
The canonical SMILES for 6-methoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one is COc1ccc2nc(Nc3nc4ccc(OC)cc4c(=O)[nH]3)nc(C)c2c1.
What is the InChIKey of 6-methoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one?
The InChIKey is YOSIJKZTPDOXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-10-13-8-11(26-2)4-6-15(13)21-18(20-10)24-19-22-16-7-5-12(27-3)9-14(16)17(25)23-19/h4-9H,1-3H3,(H2,20,21,22,23,24,25).
What are the key properties of 6-methoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one?
6-methoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one has a molecular weight of 363.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one is sourced from PubChem (CID 135448199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).