6-chloro-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione

C12H13ClN2O3 — CID 117262430

IUPAC6-chloro-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione
SMILESCC(O)Cn1c(=O)c2cc(Cl)ccc2n(C)c1=O
InChIInChI=1S/C12H13ClN2O3/c1-7(16)6-15-11(17)9-5-8(13)3-4-10(9)14(2)12(15)18/h3-5,7,16H,6H2,1-2H3
InChIKeyAONUPYJQPLRRHD-UHFFFAOYSA-N
MW268.70 g/mol
LogP0.73
Rot. Bonds2

About 6-chloro-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione

6-chloro-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione (PubChem CID 117262430) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is 6-chloro-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione
PubChem CID117262430
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name6-chloro-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione
SMILESCC(O)Cn1c(=O)c2cc(Cl)ccc2n(C)c1=O
InChIInChI=1S/C12H13ClN2O3/c1-7(16)6-15-11(17)9-5-8(13)3-4-10(9)14(2)12(15)18/h3-5,7,16H,6H2,1-2H3
InChIKeyAONUPYJQPLRRHD-UHFFFAOYSA-N
XLogP0.73
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione?
The IUPAC name of 6-chloro-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione (CID 117262430) is 6-chloro-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione.
What is the SMILES notation for 6-chloro-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione?
The canonical SMILES for 6-chloro-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione is CC(O)Cn1c(=O)c2cc(Cl)ccc2n(C)c1=O.
What is the InChIKey of 6-chloro-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione?
The InChIKey is AONUPYJQPLRRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c1-7(16)6-15-11(17)9-5-8(13)3-4-10(9)14(2)12(15)18/h3-5,7,16H,6H2,1-2H3.
What are the key properties of 6-chloro-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione?
6-chloro-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione has a molecular weight of 268.70 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione is sourced from PubChem (CID 117262430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).