7-chloro-3-propan-2-yl-1H-quinazoline-2,4-dione

C11H11ClN2O2 — CID 117261622

IUPAC7-chloro-3-propan-2-yl-1H-quinazoline-2,4-dione
SMILESCC(C)n1c(=O)[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C11H11ClN2O2/c1-6(2)14-10(15)8-4-3-7(12)5-9(8)13-11(14)16/h3-6H,1-2H3,(H,13,16)
InChIKeyQCXBQDVOMGTRFM-UHFFFAOYSA-N
MW238.67 g/mol
LogP1.92
Rot. Bonds1

About 7-chloro-3-propan-2-yl-1H-quinazoline-2,4-dione

7-chloro-3-propan-2-yl-1H-quinazoline-2,4-dione (PubChem CID 117261622) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 7-chloro-3-propan-2-yl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-chloro-3-propan-2-yl-1H-quinazoline-2,4-dione
PubChem CID117261622
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name7-chloro-3-propan-2-yl-1H-quinazoline-2,4-dione
SMILESCC(C)n1c(=O)[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C11H11ClN2O2/c1-6(2)14-10(15)8-4-3-7(12)5-9(8)13-11(14)16/h3-6H,1-2H3,(H,13,16)
InChIKeyQCXBQDVOMGTRFM-UHFFFAOYSA-N
XLogP1.92
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-di(propan-2-yl)-1H-quinazoline-2,4-dione
CID 58748031
3-[1-(4-chlorophenyl)ethyl]-1H-quinazoline-2,4-dione
CID 68743777
7-chloro-3-[(1R)-1-(4-chlorophenyl)ethyl]-6-fluoro-1H-quinazoline-2,4-dione
CID 118498703
7-chloro-3-(2-oxopropyl)-1H-quinazoline-2,4-dione
CID 117262781
7-chloro-3-(2-methylpropyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 2412469
7-chloro-3-(4-methylphenyl)sulfonyl-1H-quinazoline-2,4-dione
CID 18971383
7-chloro-3-[3-(methylamino)propyl]-1H-quinazoline-2,4-dione
CID 117263030
7-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261525
5-chloro-2-propan-2-yl-1H-indazol-3-one
CID 83805421
N-[[(1S,2S)-2-methylcyclopropyl]methyl]-2,4-dioxo-3-propan-2-yl-1H-quinazoline-7-carboxamide
CID 39608344
1-(2,6-dichloro-1H-indol-3-yl)ethanol
CID 82269694
6-chloro-3-ethyl-1H-quinazoline-2,4-dione
CID 94075078

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-propan-2-yl-1H-quinazoline-2,4-dione?
The IUPAC name of 7-chloro-3-propan-2-yl-1H-quinazoline-2,4-dione (CID 117261622) is 7-chloro-3-propan-2-yl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-chloro-3-propan-2-yl-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-chloro-3-propan-2-yl-1H-quinazoline-2,4-dione is CC(C)n1c(=O)[nH]c2cc(Cl)ccc2c1=O.
What is the InChIKey of 7-chloro-3-propan-2-yl-1H-quinazoline-2,4-dione?
The InChIKey is QCXBQDVOMGTRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-6(2)14-10(15)8-4-3-7(12)5-9(8)13-11(14)16/h3-6H,1-2H3,(H,13,16).
What are the key properties of 7-chloro-3-propan-2-yl-1H-quinazoline-2,4-dione?
7-chloro-3-propan-2-yl-1H-quinazoline-2,4-dione has a molecular weight of 238.67 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-propan-2-yl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).