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

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

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Related Compounds

(2S)-2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 41119021
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one
CID 18281605
3-(2-methoxyethyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 54778783
3-(2-methoxyethyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
CID 46515563
(2S)-2-(6-chloro-2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 32610279
(2S)-3-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one
CID 25350895
(2R)-3-(furan-2-ylmethyl)-2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-dihydroquinazolin-4-one
CID 40954308
2-(2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 46515545
2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 54778826
3-(2-methoxyethyl)-2-(2-methoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one
CID 54778743
(2R)-3-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one
CID 35233666
2-(3,4-dihydroxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 47019340

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).