2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C18H19N5O2 — CID 135435517

IUPAC2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCOc1ccc2nc(Nc3nc4c(c(=O)[nH]3)CCCC4)nc(C)c2c1
InChIInChI=1S/C18H19N5O2/c1-10-13-9-11(25-2)7-8-15(13)21-17(19-10)23-18-20-14-6-4-3-5-12(14)16(24)22-18/h7-9H,3-6H2,1-2H3,(H2,19,20,21,22,23,24)
InChIKeyAMYAHANWDRGCKQ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.65
Rot. Bonds3

About 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135435517) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135435517
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCOc1ccc2nc(Nc3nc4c(c(=O)[nH]3)CCCC4)nc(C)c2c1
InChIInChI=1S/C18H19N5O2/c1-10-13-9-11(25-2)7-8-15(13)21-17(19-10)23-18-20-14-6-4-3-5-12(14)16(24)22-18/h7-9H,3-6H2,1-2H3,(H2,19,20,21,22,23,24)
InChIKeyAMYAHANWDRGCKQ-UHFFFAOYSA-N
XLogP2.65
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135435517) is 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is COc1ccc2nc(Nc3nc4c(c(=O)[nH]3)CCCC4)nc(C)c2c1.
What is the InChIKey of 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is AMYAHANWDRGCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-10-13-9-11(25-2)7-8-15(13)21-17(19-10)23-18-20-14-6-4-3-5-12(14)16(24)22-18/h7-9H,3-6H2,1-2H3,(H2,19,20,21,22,23,24).
What are the key properties of 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 337.38 g/mol, XLogP of 2.65, 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]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135435517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).