2-[(4,6-dimethylquinazolin-2-yl)amino]-1-methylquinazolin-4-one

C19H17N5O — CID 647882

IUPAC2-[(4,6-dimethylquinazolin-2-yl)amino]-1-methylquinazolin-4-one
SMILESCc1ccc2nc(Nc3nc(=O)c4ccccc4n3C)nc(C)c2c1
InChIInChI=1S/C19H17N5O/c1-11-8-9-15-14(10-11)12(2)20-18(21-15)23-19-22-17(25)13-6-4-5-7-16(13)24(19)3/h4-10H,1-3H3,(H,20,21,22,23,25)
InChIKeyJBAJDNCGAIBFAH-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.24
Rot. Bonds2

About 2-[(4,6-dimethylquinazolin-2-yl)amino]-1-methylquinazolin-4-one

2-[(4,6-dimethylquinazolin-2-yl)amino]-1-methylquinazolin-4-one (PubChem CID 647882) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-[(4,6-dimethylquinazolin-2-yl)amino]-1-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[(4,6-dimethylquinazolin-2-yl)amino]-1-methylquinazolin-4-one
PubChem CID647882
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name2-[(4,6-dimethylquinazolin-2-yl)amino]-1-methylquinazolin-4-one
SMILESCc1ccc2nc(Nc3nc(=O)c4ccccc4n3C)nc(C)c2c1
InChIInChI=1S/C19H17N5O/c1-11-8-9-15-14(10-11)12(2)20-18(21-15)23-19-22-17(25)13-6-4-5-7-16(13)24(19)3/h4-10H,1-3H3,(H,20,21,22,23,25)
InChIKeyJBAJDNCGAIBFAH-UHFFFAOYSA-N
XLogP3.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylquinazolin-2-yl)amino]-1-methylquinazolin-4-one?
The IUPAC name of 2-[(4,6-dimethylquinazolin-2-yl)amino]-1-methylquinazolin-4-one (CID 647882) is 2-[(4,6-dimethylquinazolin-2-yl)amino]-1-methylquinazolin-4-one.
What is the SMILES notation for 2-[(4,6-dimethylquinazolin-2-yl)amino]-1-methylquinazolin-4-one?
The canonical SMILES for 2-[(4,6-dimethylquinazolin-2-yl)amino]-1-methylquinazolin-4-one is Cc1ccc2nc(Nc3nc(=O)c4ccccc4n3C)nc(C)c2c1.
What is the InChIKey of 2-[(4,6-dimethylquinazolin-2-yl)amino]-1-methylquinazolin-4-one?
The InChIKey is JBAJDNCGAIBFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-11-8-9-15-14(10-11)12(2)20-18(21-15)23-19-22-17(25)13-6-4-5-7-16(13)24(19)3/h4-10H,1-3H3,(H,20,21,22,23,25).
What are the key properties of 2-[(4,6-dimethylquinazolin-2-yl)amino]-1-methylquinazolin-4-one?
2-[(4,6-dimethylquinazolin-2-yl)amino]-1-methylquinazolin-4-one has a molecular weight of 331.38 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylquinazolin-2-yl)amino]-1-methylquinazolin-4-one is sourced from PubChem (CID 647882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).