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

C19H17N5O — CID 135455921

IUPAC2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
SMILESCCc1ccc2nc(Nc3nc4ccccc4c(=O)[nH]3)nc(C)c2c1
InChIInChI=1S/C19H17N5O/c1-3-12-8-9-16-14(10-12)11(2)20-18(22-16)24-19-21-15-7-5-4-6-13(15)17(25)23-19/h4-10H,3H2,1-2H3,(H2,20,21,22,23,24,25)
InChIKeyJOLQIQARNUTRID-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.48
Rot. Bonds3

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

2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one (PubChem CID 135455921) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
PubChem CID135455921
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
SMILESCCc1ccc2nc(Nc3nc4ccccc4c(=O)[nH]3)nc(C)c2c1
InChIInChI=1S/C19H17N5O/c1-3-12-8-9-16-14(10-12)11(2)20-18(22-16)24-19-21-15-7-5-4-6-13(15)17(25)23-19/h4-10H,3H2,1-2H3,(H2,20,21,22,23,24,25)
InChIKeyJOLQIQARNUTRID-UHFFFAOYSA-N
XLogP3.48
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-(2-phenylethyl)-1H-pyrimidin-6-one
CID 135882024
2-[(6-bromo-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 155453165
[4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]quinazolin-6-yl]carbamic acid
CID 155436367
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 135882008
6-methoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135448199
2-[(4-methoxy-6-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135449223
2-(3,5-dimethylanilino)-3H-quinazolin-4-one
CID 135439663
4-hydroxy-5-methyl-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 788084
4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135894885
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-8-methyl-3H-quinazolin-4-one
CID 135440093
5-butyl-2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135602395
2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-5-pentyl-1H-pyrimidin-6-one
CID 135422835

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one?
The IUPAC name of 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one (CID 135455921) is 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one is CCc1ccc2nc(Nc3nc4ccccc4c(=O)[nH]3)nc(C)c2c1.
What is the InChIKey of 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one?
The InChIKey is JOLQIQARNUTRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-3-12-8-9-16-14(10-12)11(2)20-18(22-16)24-19-21-15-7-5-4-6-13(15)17(25)23-19/h4-10H,3H2,1-2H3,(H2,20,21,22,23,24,25).
What are the key properties of 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one?
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one has a molecular weight of 331.38 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one is sourced from PubChem (CID 135455921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).