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

C19H16N4O2S — CID 135747470

IUPAC2-[(6-methoxy-4-methylquinazolin-2-yl)sulfanylmethyl]-3H-quinazolin-4-one
SMILESCOc1ccc2nc(SCc3nc4ccccc4c(=O)[nH]3)nc(C)c2c1
InChIInChI=1S/C19H16N4O2S/c1-11-14-9-12(25-2)7-8-16(14)22-19(20-11)26-10-17-21-15-6-4-3-5-13(15)18(24)23-17/h3-9H,10H2,1-2H3,(H,21,23,24)
InChIKeyAVALSQLNFRHPTE-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.48
Rot. Bonds4

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

2-[(6-methoxy-4-methylquinazolin-2-yl)sulfanylmethyl]-3H-quinazolin-4-one (PubChem CID 135747470) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-[(6-methoxy-4-methylquinazolin-2-yl)sulfanylmethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(6-methoxy-4-methylquinazolin-2-yl)sulfanylmethyl]-3H-quinazolin-4-one
PubChem CID135747470
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name2-[(6-methoxy-4-methylquinazolin-2-yl)sulfanylmethyl]-3H-quinazolin-4-one
SMILESCOc1ccc2nc(SCc3nc4ccccc4c(=O)[nH]3)nc(C)c2c1
InChIInChI=1S/C19H16N4O2S/c1-11-14-9-12(25-2)7-8-16(14)22-19(20-11)26-10-17-21-15-6-4-3-5-13(15)18(24)23-17/h3-9H,10H2,1-2H3,(H,21,23,24)
InChIKeyAVALSQLNFRHPTE-UHFFFAOYSA-N
XLogP3.48
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]-3H-quinazolin-4-one
CID 135413027
6-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline
CID 896205
2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-3H-quinazolin-4-one
CID 137153653
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-3H-quinazolin-4-one
CID 135467192
2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3H-quinazolin-4-one
CID 135467291
2-[[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3H-quinazolin-4-one
CID 135517989
6-methoxy-2-methyl-3H-quinazolin-4-one
CID 135449497
2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3H-quinazolin-4-one
CID 135477428
2-[(2-fluorophenyl)sulfanylmethyl]-3H-quinazolin-4-one
CID 135808810
(6-methoxy-4-oxo-3H-quinazolin-2-yl)methyl acetate
CID 156870481
2-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 135960509
6-methoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135448199

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-4-methylquinazolin-2-yl)sulfanylmethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(6-methoxy-4-methylquinazolin-2-yl)sulfanylmethyl]-3H-quinazolin-4-one (CID 135747470) is 2-[(6-methoxy-4-methylquinazolin-2-yl)sulfanylmethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(6-methoxy-4-methylquinazolin-2-yl)sulfanylmethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(6-methoxy-4-methylquinazolin-2-yl)sulfanylmethyl]-3H-quinazolin-4-one is COc1ccc2nc(SCc3nc4ccccc4c(=O)[nH]3)nc(C)c2c1.
What is the InChIKey of 2-[(6-methoxy-4-methylquinazolin-2-yl)sulfanylmethyl]-3H-quinazolin-4-one?
The InChIKey is AVALSQLNFRHPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-11-14-9-12(25-2)7-8-16(14)22-19(20-11)26-10-17-21-15-6-4-3-5-13(15)18(24)23-17/h3-9H,10H2,1-2H3,(H,21,23,24).
What are the key properties of 2-[(6-methoxy-4-methylquinazolin-2-yl)sulfanylmethyl]-3H-quinazolin-4-one?
2-[(6-methoxy-4-methylquinazolin-2-yl)sulfanylmethyl]-3H-quinazolin-4-one has a molecular weight of 364.43 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-4-methylquinazolin-2-yl)sulfanylmethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135747470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).