2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide

C23H18N4O3S — CID 52541636

IUPAC2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1
InChIInChI=1S/C23H18N4O3S/c1-26(14-18-5-4-12-30-18)21(28)15-31-23-25-20-7-3-2-6-19(20)22(29)27(23)17-10-8-16(13-24)9-11-17/h2-12H,14-15H2,1H3
InChIKeyJSBNIERSTRRVIS-UHFFFAOYSA-N
MW430.49 g/mol
LogP3.60
Rot. Bonds6

About 2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide

2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide (PubChem CID 52541636) has the molecular formula C23H18N4O3S and a molecular weight of 430.49 g/mol. Its IUPAC name is 2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide
PubChem CID52541636
Molecular FormulaC23H18N4O3S
Molecular Weight430.49 g/mol
Exact Mass430.11
IUPAC Name2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1
InChIInChI=1S/C23H18N4O3S/c1-26(14-18-5-4-12-30-18)21(28)15-31-23-25-20-7-3-2-6-19(20)22(29)27(23)17-10-8-16(13-24)9-11-17/h2-12H,14-15H2,1H3
InChIKeyJSBNIERSTRRVIS-UHFFFAOYSA-N
XLogP3.60
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide
CID 30556355
N-benzyl-N-tert-butyl-2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 55466922
4-(2-benzylsulfanyl-4-oxoquinazolin-3-yl)benzonitrile
CID 46664415
2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 24562805
2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-2-ylacetamide
CID 16576594
2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide
CID 2348050
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 2595050
2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 46664767
2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-prop-2-enylacetamide
CID 51283542
4-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]benzonitrile
CID 46664543
2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-naphthalen-1-ylethyl)acetamide
CID 24562815
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 46607990

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide (CID 52541636) is 2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide is CN(Cc1ccco1)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1.
What is the InChIKey of 2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide?
The InChIKey is JSBNIERSTRRVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3S/c1-26(14-18-5-4-12-30-18)21(28)15-31-23-25-20-7-3-2-6-19(20)22(29)27(23)17-10-8-16(13-24)9-11-17/h2-12H,14-15H2,1H3.
What are the key properties of 2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide?
2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide has a molecular weight of 430.49 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 52541636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).