2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one

C20H18ClN3O2S — CID 42938244

IUPAC2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
SMILESCOCCN1C(=O)c2ccccc2NC1c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H18ClN3O2S/c1-26-11-10-24-18(22-16-5-3-2-4-15(16)20(24)25)17-12-27-19(23-17)13-6-8-14(21)9-7-13/h2-9,12,18,22H,10-11H2,1H3
InChIKeyPYNFNZADVIAWQI-UHFFFAOYSA-N
MW399.90 g/mol
LogP4.68
Rot. Bonds5

About 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one

2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one (PubChem CID 42938244) has the molecular formula C20H18ClN3O2S and a molecular weight of 399.90 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
PubChem CID42938244
Molecular FormulaC20H18ClN3O2S
Molecular Weight399.90 g/mol
Exact Mass399.08
IUPAC Name2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
SMILESCOCCN1C(=O)c2ccccc2NC1c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H18ClN3O2S/c1-26-11-10-24-18(22-16-5-3-2-4-15(16)20(24)25)17-12-27-19(23-17)13-6-8-14(21)9-7-13/h2-9,12,18,22H,10-11H2,1H3
InChIKeyPYNFNZADVIAWQI-UHFFFAOYSA-N
XLogP4.68
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one (CID 42938244) is 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one is COCCN1C(=O)c2ccccc2NC1c1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is PYNFNZADVIAWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2S/c1-26-11-10-24-18(22-16-5-3-2-4-15(16)20(24)25)17-12-27-19(23-17)13-6-8-14(21)9-7-13/h2-9,12,18,22H,10-11H2,1H3.
What are the key properties of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 399.90 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 42938244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).