7-chloro-3-(2-methylphenyl)-2-(2-morpholin-4-ylethylsulfanyl)quinazolin-4-one

C21H22ClN3O2S — CID 29461068

IUPAC7-chloro-3-(2-methylphenyl)-2-(2-morpholin-4-ylethylsulfanyl)quinazolin-4-one
SMILESCc1ccccc1-n1c(SCCN2CCOCC2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C21H22ClN3O2S/c1-15-4-2-3-5-19(15)25-20(26)17-7-6-16(22)14-18(17)23-21(25)28-13-10-24-8-11-27-12-9-24/h2-7,14H,8-13H2,1H3
InChIKeySOAMPYLBSDKAKT-UHFFFAOYSA-N
MW415.95 g/mol
LogP3.77
Rot. Bonds5

About 7-chloro-3-(2-methylphenyl)-2-(2-morpholin-4-ylethylsulfanyl)quinazolin-4-one

7-chloro-3-(2-methylphenyl)-2-(2-morpholin-4-ylethylsulfanyl)quinazolin-4-one (PubChem CID 29461068) has the molecular formula C21H22ClN3O2S and a molecular weight of 415.95 g/mol. Its IUPAC name is 7-chloro-3-(2-methylphenyl)-2-(2-morpholin-4-ylethylsulfanyl)quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-3-(2-methylphenyl)-2-(2-morpholin-4-ylethylsulfanyl)quinazolin-4-one
PubChem CID29461068
Molecular FormulaC21H22ClN3O2S
Molecular Weight415.95 g/mol
Exact Mass415.11
IUPAC Name7-chloro-3-(2-methylphenyl)-2-(2-morpholin-4-ylethylsulfanyl)quinazolin-4-one
SMILESCc1ccccc1-n1c(SCCN2CCOCC2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C21H22ClN3O2S/c1-15-4-2-3-5-19(15)25-20(26)17-7-6-16(22)14-18(17)23-21(25)28-13-10-24-8-11-27-12-9-24/h2-7,14H,8-13H2,1H3
InChIKeySOAMPYLBSDKAKT-UHFFFAOYSA-N
XLogP3.77
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.95
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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4-[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylbutanenitrile
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3-(2-methylphenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one
CID 8873721
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2-[7-chloro-3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 29330073
2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pyrimidin-2-ylpropanamide
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7-methyl-3-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one
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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2-methylphenyl)-2-(2-morpholin-4-ylethylsulfanyl)quinazolin-4-one?
The IUPAC name of 7-chloro-3-(2-methylphenyl)-2-(2-morpholin-4-ylethylsulfanyl)quinazolin-4-one (CID 29461068) is 7-chloro-3-(2-methylphenyl)-2-(2-morpholin-4-ylethylsulfanyl)quinazolin-4-one.
What is the SMILES notation for 7-chloro-3-(2-methylphenyl)-2-(2-morpholin-4-ylethylsulfanyl)quinazolin-4-one?
The canonical SMILES for 7-chloro-3-(2-methylphenyl)-2-(2-morpholin-4-ylethylsulfanyl)quinazolin-4-one is Cc1ccccc1-n1c(SCCN2CCOCC2)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 7-chloro-3-(2-methylphenyl)-2-(2-morpholin-4-ylethylsulfanyl)quinazolin-4-one?
The InChIKey is SOAMPYLBSDKAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2S/c1-15-4-2-3-5-19(15)25-20(26)17-7-6-16(22)14-18(17)23-21(25)28-13-10-24-8-11-27-12-9-24/h2-7,14H,8-13H2,1H3.
What are the key properties of 7-chloro-3-(2-methylphenyl)-2-(2-morpholin-4-ylethylsulfanyl)quinazolin-4-one?
7-chloro-3-(2-methylphenyl)-2-(2-morpholin-4-ylethylsulfanyl)quinazolin-4-one has a molecular weight of 415.95 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2-methylphenyl)-2-(2-morpholin-4-ylethylsulfanyl)quinazolin-4-one is sourced from PubChem (CID 29461068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).