7-chloro-2-[1-(2-chlorophenyl)ethylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one

C21H16Cl2N2O2S — CID 18281936

IUPAC7-chloro-2-[1-(2-chlorophenyl)ethylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one
SMILESCC(Sc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)c1ccccc1Cl
InChIInChI=1S/C21H16Cl2N2O2S/c1-13(16-6-2-3-7-18(16)23)28-21-24-19-11-14(22)8-9-17(19)20(26)25(21)12-15-5-4-10-27-15/h2-11,13H,12H2,1H3
InChIKeyQRCNUGDOOHQYDK-UHFFFAOYSA-N
MW431.34 g/mol
LogP6.20
Rot. Bonds5

About 7-chloro-2-[1-(2-chlorophenyl)ethylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one

7-chloro-2-[1-(2-chlorophenyl)ethylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one (PubChem CID 18281936) has the molecular formula C21H16Cl2N2O2S and a molecular weight of 431.34 g/mol. Its IUPAC name is 7-chloro-2-[1-(2-chlorophenyl)ethylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[1-(2-chlorophenyl)ethylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one
PubChem CID18281936
Molecular FormulaC21H16Cl2N2O2S
Molecular Weight431.34 g/mol
Exact Mass430.03
IUPAC Name7-chloro-2-[1-(2-chlorophenyl)ethylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one
SMILESCC(Sc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)c1ccccc1Cl
InChIInChI=1S/C21H16Cl2N2O2S/c1-13(16-6-2-3-7-18(16)23)28-21-24-19-11-14(22)8-9-17(19)20(26)25(21)12-15-5-4-10-27-15/h2-11,13H,12H2,1H3
InChIKeyQRCNUGDOOHQYDK-UHFFFAOYSA-N
XLogP6.20
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.34
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-propylquinazolin-4-one
CID 7359679
N-carbamoyl-2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 4818989
2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 7558522
1-[2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]piperidine-4-carboxamide
CID 55525299
2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(1-phenylethyl)acetamide
CID 46811148
7-chloro-2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one
CID 7906332
7-chloro-3-(furan-2-ylmethyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one
CID 4818921
7-chloro-3-(furan-2-ylmethyl)-2-[(1S)-2-oxocyclopentyl]sulfanylquinazolin-4-one
CID 2680002
7-chloro-3-(furan-2-ylmethyl)-2-(oxolan-2-ylmethylsulfanyl)quinazolin-4-one
CID 17392958
7-chloro-3-(furan-2-ylmethyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one
CID 2567846
2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2108704
7-chloro-3-(furan-2-ylmethyl)-2-(5-nitropyrimidin-2-yl)sulfanylquinazolin-4-one
CID 133467067

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[1-(2-chlorophenyl)ethylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one?
The IUPAC name of 7-chloro-2-[1-(2-chlorophenyl)ethylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one (CID 18281936) is 7-chloro-2-[1-(2-chlorophenyl)ethylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[1-(2-chlorophenyl)ethylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one?
The canonical SMILES for 7-chloro-2-[1-(2-chlorophenyl)ethylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one is CC(Sc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)c1ccccc1Cl.
What is the InChIKey of 7-chloro-2-[1-(2-chlorophenyl)ethylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one?
The InChIKey is QRCNUGDOOHQYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O2S/c1-13(16-6-2-3-7-18(16)23)28-21-24-19-11-14(22)8-9-17(19)20(26)25(21)12-15-5-4-10-27-15/h2-11,13H,12H2,1H3.
What are the key properties of 7-chloro-2-[1-(2-chlorophenyl)ethylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one?
7-chloro-2-[1-(2-chlorophenyl)ethylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one has a molecular weight of 431.34 g/mol, XLogP of 6.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[1-(2-chlorophenyl)ethylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 18281936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).