3-[1-(4-chlorophenyl)-3-methoxypropyl]-7-fluoro-1-methylquinazoline-2,4-dione

C19H18ClFN2O3 — CID 118499075

IUPAC3-[1-(4-chlorophenyl)-3-methoxypropyl]-7-fluoro-1-methylquinazoline-2,4-dione
SMILESCOCCC(c1ccc(Cl)cc1)n1c(=O)c2ccc(F)cc2n(C)c1=O
InChIInChI=1S/C19H18ClFN2O3/c1-22-17-11-14(21)7-8-15(17)18(24)23(19(22)25)16(9-10-26-2)12-3-5-13(20)6-4-12/h3-8,11,16H,9-10H2,1-2H3
InChIKeyUQFJBCBXXHKBLI-UHFFFAOYSA-N
MW376.82 g/mol
LogP3.12
Rot. Bonds5

About 3-[1-(4-chlorophenyl)-3-methoxypropyl]-7-fluoro-1-methylquinazoline-2,4-dione

3-[1-(4-chlorophenyl)-3-methoxypropyl]-7-fluoro-1-methylquinazoline-2,4-dione (PubChem CID 118499075) has the molecular formula C19H18ClFN2O3 and a molecular weight of 376.82 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)-3-methoxypropyl]-7-fluoro-1-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)-3-methoxypropyl]-7-fluoro-1-methylquinazoline-2,4-dione
PubChem CID118499075
Molecular FormulaC19H18ClFN2O3
Molecular Weight376.82 g/mol
Exact Mass376.10
IUPAC Name3-[1-(4-chlorophenyl)-3-methoxypropyl]-7-fluoro-1-methylquinazoline-2,4-dione
SMILESCOCCC(c1ccc(Cl)cc1)n1c(=O)c2ccc(F)cc2n(C)c1=O
InChIInChI=1S/C19H18ClFN2O3/c1-22-17-11-14(21)7-8-15(17)18(24)23(19(22)25)16(9-10-26-2)12-3-5-13(20)6-4-12/h3-8,11,16H,9-10H2,1-2H3
InChIKeyUQFJBCBXXHKBLI-UHFFFAOYSA-N
XLogP3.12
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)-3-methoxypropyl]-7-fluoro-1-methylquinazoline-2,4-dione?
The IUPAC name of 3-[1-(4-chlorophenyl)-3-methoxypropyl]-7-fluoro-1-methylquinazoline-2,4-dione (CID 118499075) is 3-[1-(4-chlorophenyl)-3-methoxypropyl]-7-fluoro-1-methylquinazoline-2,4-dione.
What is the SMILES notation for 3-[1-(4-chlorophenyl)-3-methoxypropyl]-7-fluoro-1-methylquinazoline-2,4-dione?
The canonical SMILES for 3-[1-(4-chlorophenyl)-3-methoxypropyl]-7-fluoro-1-methylquinazoline-2,4-dione is COCCC(c1ccc(Cl)cc1)n1c(=O)c2ccc(F)cc2n(C)c1=O.
What is the InChIKey of 3-[1-(4-chlorophenyl)-3-methoxypropyl]-7-fluoro-1-methylquinazoline-2,4-dione?
The InChIKey is UQFJBCBXXHKBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O3/c1-22-17-11-14(21)7-8-15(17)18(24)23(19(22)25)16(9-10-26-2)12-3-5-13(20)6-4-12/h3-8,11,16H,9-10H2,1-2H3.
What are the key properties of 3-[1-(4-chlorophenyl)-3-methoxypropyl]-7-fluoro-1-methylquinazoline-2,4-dione?
3-[1-(4-chlorophenyl)-3-methoxypropyl]-7-fluoro-1-methylquinazoline-2,4-dione has a molecular weight of 376.82 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)-3-methoxypropyl]-7-fluoro-1-methylquinazoline-2,4-dione is sourced from PubChem (CID 118499075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).