7-methoxy-1H-quinazoline-2,4-dione

C9H8N2O3 — CID 19604241

IUPAC7-methoxy-1H-quinazoline-2,4-dione
SMILESCOc1ccc2c(=O)[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H8N2O3/c1-14-5-2-3-6-7(4-5)10-9(13)11-8(6)12/h2-4H,1H3,(H2,10,11,12,13)
InChIKeyBTEAXSZDTYHOGC-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.22
Rot. Bonds1

About 7-methoxy-1H-quinazoline-2,4-dione

7-methoxy-1H-quinazoline-2,4-dione (PubChem CID 19604241) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 7-methoxy-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-methoxy-1H-quinazoline-2,4-dione
PubChem CID19604241
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name7-methoxy-1H-quinazoline-2,4-dione
SMILESCOc1ccc2c(=O)[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H8N2O3/c1-14-5-2-3-6-7(4-5)10-9(13)11-8(6)12/h2-4H,1H3,(H2,10,11,12,13)
InChIKeyBTEAXSZDTYHOGC-UHFFFAOYSA-N
XLogP0.22
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Dihydro-2-(4-methoxyphenyl)-4(3H)-quinazolinone
CID 484118
6,7-Dimethoxy-2,4(1H,3H)-quinazolinedione
CID 120081
4-methoxy-N-(3-methoxyphenyl)benzamide
CID 687087
7-Methoxy-2-phenyl-quinolin-4-ol
CID 289743
2,2-diethyl-3-(4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 703596
3-(4-methoxyphenyl)-2,2-dimethyl-1H-quinazolin-4-one
CID 919612
6,7-dimethoxy-3-(4-methylphenyl)-1H-quinazoline-2,4-dione
CID 718445
2-[(4-Methoxybenzoyl)amino]benzamide
CID 819664
3'-(4-methoxyphenyl)-1'H-spiro[cyclohexane-1,2'-quinazolin]-4'(3'H)-one
CID 1916592
3-Benzyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 2887831
3-Heptyl-4-hydroxy-7-methoxy-2-methylquinoline
CID 100474
3-hexyl-7-methoxy-2-methyl-1H-quinolin-4-one
CID 44531991

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1H-quinazoline-2,4-dione?
The IUPAC name of 7-methoxy-1H-quinazoline-2,4-dione (CID 19604241) is 7-methoxy-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-methoxy-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-methoxy-1H-quinazoline-2,4-dione is COc1ccc2c(=O)[nH]c(=O)[nH]c2c1.
What is the InChIKey of 7-methoxy-1H-quinazoline-2,4-dione?
The InChIKey is BTEAXSZDTYHOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-14-5-2-3-6-7(4-5)10-9(13)11-8(6)12/h2-4H,1H3,(H2,10,11,12,13).
What are the key properties of 7-methoxy-1H-quinazoline-2,4-dione?
7-methoxy-1H-quinazoline-2,4-dione has a molecular weight of 192.17 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1H-quinazoline-2,4-dione is sourced from PubChem (CID 19604241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).