2-[(5-chloroquinolin-8-yl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one

C23H16ClN3O2S — CID 38867233

IUPAC2-[(5-chloroquinolin-8-yl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(SCc2ccc(Cl)c3cccnc23)n1Cc1ccco1
InChIInChI=1S/C23H16ClN3O2S/c24-19-10-9-15(21-17(19)7-3-11-25-21)14-30-23-26-20-8-2-1-6-18(20)22(28)27(23)13-16-5-4-12-29-16/h1-12H,13-14H2
InChIKeyUXVXIXGSDHEGIW-UHFFFAOYSA-N
MW433.92 g/mol
LogP5.53
Rot. Bonds5

About 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one

2-[(5-chloroquinolin-8-yl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one (PubChem CID 38867233) has the molecular formula C23H16ClN3O2S and a molecular weight of 433.92 g/mol. Its IUPAC name is 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(5-chloroquinolin-8-yl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one
PubChem CID38867233
Molecular FormulaC23H16ClN3O2S
Molecular Weight433.92 g/mol
Exact Mass433.07
IUPAC Name2-[(5-chloroquinolin-8-yl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(SCc2ccc(Cl)c3cccnc23)n1Cc1ccco1
InChIInChI=1S/C23H16ClN3O2S/c24-19-10-9-15(21-17(19)7-3-11-25-21)14-30-23-26-20-8-2-1-6-18(20)22(28)27(23)13-16-5-4-12-29-16/h1-12H,13-14H2
InChIKeyUXVXIXGSDHEGIW-UHFFFAOYSA-N
XLogP5.53
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.92
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
CID 26962068
3-(furan-2-ylmethyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 17022349
3-[[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-4-methoxybenzaldehyde
CID 19582578
2-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one
CID 42585600
4-benzyl-3-[(5-chloroquinolin-8-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 38871270
3-(furan-2-ylmethyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one
CID 2489884
7-chloro-2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one
CID 7906332
3-(furan-2-ylmethyl)-2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]quinazolin-4-one
CID 24577196
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
CID 1162834
N-(2-chloro-4-fluorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2490304
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 2490048
6-[(2-fluorophenyl)methylsulfanyl]-7-(furan-2-ylmethyl)-[1,3]dioxolo[4,5-g]quinazolin-8-one
CID 5062856

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one?
The IUPAC name of 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one (CID 38867233) is 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one?
The canonical SMILES for 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one is O=c1c2ccccc2nc(SCc2ccc(Cl)c3cccnc23)n1Cc1ccco1.
What is the InChIKey of 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one?
The InChIKey is UXVXIXGSDHEGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O2S/c24-19-10-9-15(21-17(19)7-3-11-25-21)14-30-23-26-20-8-2-1-6-18(20)22(28)27(23)13-16-5-4-12-29-16/h1-12H,13-14H2.
What are the key properties of 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one?
2-[(5-chloroquinolin-8-yl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one has a molecular weight of 433.92 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 38867233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).