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

C18H15N5O2 — CID 135449223

IUPAC2-[(4-methoxy-6-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
SMILESCOc1nc(Nc2nc3ccccc3c(=O)[nH]2)nc2ccc(C)cc12
InChIInChI=1S/C18H15N5O2/c1-10-7-8-14-12(9-10)16(25-2)22-18(20-14)23-17-19-13-6-4-3-5-11(13)15(24)21-17/h3-9H,1-2H3,(H2,19,20,21,22,23,24)
InChIKeyNSNRYVXTZZFJLV-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.93
Rot. Bonds3

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

2-[(4-methoxy-6-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one (PubChem CID 135449223) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-[(4-methoxy-6-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(4-methoxy-6-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
PubChem CID135449223
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name2-[(4-methoxy-6-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
SMILESCOc1nc(Nc2nc3ccccc3c(=O)[nH]2)nc2ccc(C)cc12
InChIInChI=1S/C18H15N5O2/c1-10-7-8-14-12(9-10)16(25-2)22-18(20-14)23-17-19-13-6-4-3-5-11(13)15(24)21-17/h3-9H,1-2H3,(H2,19,20,21,22,23,24)
InChIKeyNSNRYVXTZZFJLV-UHFFFAOYSA-N
XLogP2.93
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[(6-bromo-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 155453165
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135455921
2-(3,5-dimethylanilino)-3H-quinazolin-4-one
CID 135439663
[4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]quinazolin-6-yl]carbamic acid
CID 155436367
6-methoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135448199
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-8-methyl-3H-quinazolin-4-one
CID 135440093
2-(3-chloro-4-methoxyanilino)-3H-quinazolin-4-one
CID 135713751
2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135491610
4-hydroxy-5-methyl-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 788084
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
2-(3-methylsulfanylanilino)-3H-quinazolin-4-one
CID 136779337

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-6-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one?
The IUPAC name of 2-[(4-methoxy-6-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one (CID 135449223) is 2-[(4-methoxy-6-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(4-methoxy-6-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(4-methoxy-6-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one is COc1nc(Nc2nc3ccccc3c(=O)[nH]2)nc2ccc(C)cc12.
What is the InChIKey of 2-[(4-methoxy-6-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one?
The InChIKey is NSNRYVXTZZFJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-10-7-8-14-12(9-10)16(25-2)22-18(20-14)23-17-19-13-6-4-3-5-11(13)15(24)21-17/h3-9H,1-2H3,(H2,19,20,21,22,23,24).
What are the key properties of 2-[(4-methoxy-6-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one?
2-[(4-methoxy-6-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one has a molecular weight of 333.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-6-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one is sourced from PubChem (CID 135449223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).