5-methoxy-3-propan-2-yl-1H-quinazoline-2,4-dione

C12H14N2O3 — CID 117261068

IUPAC5-methoxy-3-propan-2-yl-1H-quinazoline-2,4-dione
SMILESCOc1cccc2[nH]c(=O)n(C(C)C)c(=O)c12
InChIInChI=1S/C12H14N2O3/c1-7(2)14-11(15)10-8(13-12(14)16)5-4-6-9(10)17-3/h4-7H,1-3H3,(H,13,16)
InChIKeyWYBSKYPBTQNFSB-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.28
Rot. Bonds2

About 5-methoxy-3-propan-2-yl-1H-quinazoline-2,4-dione

5-methoxy-3-propan-2-yl-1H-quinazoline-2,4-dione (PubChem CID 117261068) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-methoxy-3-propan-2-yl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name5-methoxy-3-propan-2-yl-1H-quinazoline-2,4-dione
PubChem CID117261068
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name5-methoxy-3-propan-2-yl-1H-quinazoline-2,4-dione
SMILESCOc1cccc2[nH]c(=O)n(C(C)C)c(=O)c12
InChIInChI=1S/C12H14N2O3/c1-7(2)14-11(15)10-8(13-12(14)16)5-4-6-9(10)17-3/h4-7H,1-3H3,(H,13,16)
InChIKeyWYBSKYPBTQNFSB-UHFFFAOYSA-N
XLogP1.28
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261150
5-methoxy-3-(2-oxopropyl)-1H-quinazoline-2,4-dione
CID 117262084
5-methoxy-3-(5-methylthiophen-2-yl)-1H-quinazoline-2,4-dione
CID 117261010
ethyl 4-fluoro-2-(5-methoxy-2,4-dioxo-1H-quinazolin-3-yl)-4-methylpentanoate
CID 177351770
5-methoxy-3-(2-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 87203020
3-(1-aminoethyl)-5-chloro-1H-quinazoline-2,4-dione
CID 117262250
5-methoxy-2,3-dimethyl-1H-quinolin-4-one
CID 119083522
1-(4-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82279193
4-hydroxy-5-methoxy-1H-quinolin-2-one
CID 54718133
3-ethyl-4-methoxy-1H-benzimidazol-2-one
CID 117209129
(2R)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(5-methoxy-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridin-3-ylpropanamide
CID 177351762
3-(1-methoxypropan-2-yl)-1H-benzimidazol-2-one
CID 10442968

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-propan-2-yl-1H-quinazoline-2,4-dione?
The IUPAC name of 5-methoxy-3-propan-2-yl-1H-quinazoline-2,4-dione (CID 117261068) is 5-methoxy-3-propan-2-yl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 5-methoxy-3-propan-2-yl-1H-quinazoline-2,4-dione?
The canonical SMILES for 5-methoxy-3-propan-2-yl-1H-quinazoline-2,4-dione is COc1cccc2[nH]c(=O)n(C(C)C)c(=O)c12.
What is the InChIKey of 5-methoxy-3-propan-2-yl-1H-quinazoline-2,4-dione?
The InChIKey is WYBSKYPBTQNFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7(2)14-11(15)10-8(13-12(14)16)5-4-6-9(10)17-3/h4-7H,1-3H3,(H,13,16).
What are the key properties of 5-methoxy-3-propan-2-yl-1H-quinazoline-2,4-dione?
5-methoxy-3-propan-2-yl-1H-quinazoline-2,4-dione has a molecular weight of 234.25 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-propan-2-yl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).