2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide

C23H23ClN4O3S — CID 31103896

IUPAC2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide
SMILESCN(C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)C1(C#N)CCCCC1
InChIInChI=1S/C23H23ClN4O3S/c1-27(23(15-25)9-3-2-4-10-23)20(29)14-32-22-26-19-12-16(24)7-8-18(19)21(30)28(22)13-17-6-5-11-31-17/h5-8,11-12H,2-4,9-10,13-14H2,1H3
InChIKeyPGFSAVKLVDVOTE-UHFFFAOYSA-N
MW470.98 g/mol
LogP4.47
Rot. Bonds6

About 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide

2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide (PubChem CID 31103896) has the molecular formula C23H23ClN4O3S and a molecular weight of 470.98 g/mol. Its IUPAC name is 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide
PubChem CID31103896
Molecular FormulaC23H23ClN4O3S
Molecular Weight470.98 g/mol
Exact Mass470.12
IUPAC Name2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide
SMILESCN(C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)C1(C#N)CCCCC1
InChIInChI=1S/C23H23ClN4O3S/c1-27(23(15-25)9-3-2-4-10-23)20(29)14-32-22-26-19-12-16(24)7-8-18(19)21(30)28(22)13-17-6-5-11-31-17/h5-8,11-12H,2-4,9-10,13-14H2,1H3
InChIKeyPGFSAVKLVDVOTE-UHFFFAOYSA-N
XLogP4.47
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.98
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide with MolForge

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Related Compounds

2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(1-phenylethyl)acetamide
CID 46811148
2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 4821809
(E)-3-amino-2-[2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]but-2-enenitrile
CID 6223631
2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 7558522
2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(cyclopropylmethyl)acetamide
CID 46526722
N-(1-cyanocyclohexyl)-N-methyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 18081751
7-chloro-3-(furan-2-ylmethyl)-2-(oxolan-2-ylmethylsulfanyl)quinazolin-4-one
CID 17392958
2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2108704
N-carbamoyl-2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 4818989
7-chloro-3-(furan-2-ylmethyl)-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]sulfanylquinazolin-4-one
CID 27278384
N-(1-cyanocyclohexyl)-N-methyl-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 7427950
7-chloro-2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one
CID 7906332

Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide?
The IUPAC name of 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide (CID 31103896) is 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide.
What is the SMILES notation for 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide?
The canonical SMILES for 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide is CN(C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)C1(C#N)CCCCC1.
What is the InChIKey of 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide?
The InChIKey is PGFSAVKLVDVOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3S/c1-27(23(15-25)9-3-2-4-10-23)20(29)14-32-22-26-19-12-16(24)7-8-18(19)21(30)28(22)13-17-6-5-11-31-17/h5-8,11-12H,2-4,9-10,13-14H2,1H3.
What are the key properties of 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide?
2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide has a molecular weight of 470.98 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide is sourced from PubChem (CID 31103896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).