N-(5-chloro-2-pyridinyl)-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide

C23H19ClN4O2S — CID 24604103

IUPACN-(5-chloro-2-pyridinyl)-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide
SMILESCC(c1ccccc1)n1c(SCC(=O)Nc2ccc(Cl)cn2)nc2ccccc2c1=O
InChIInChI=1S/C23H19ClN4O2S/c1-15(16-7-3-2-4-8-16)28-22(30)18-9-5-6-10-19(18)26-23(28)31-14-21(29)27-20-12-11-17(24)13-25-20/h2-13,15H,14H2,1H3,(H,25,27,29)
InChIKeyKCVWODYCCWRQMX-UHFFFAOYSA-N
MW450.95 g/mol
LogP4.78
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide

N-(5-chloro-2-pyridinyl)-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide (PubChem CID 24604103) has the molecular formula C23H19ClN4O2S and a molecular weight of 450.95 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide
PubChem CID24604103
Molecular FormulaC23H19ClN4O2S
Molecular Weight450.95 g/mol
Exact Mass450.09
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide
SMILESCC(c1ccccc1)n1c(SCC(=O)Nc2ccc(Cl)cn2)nc2ccccc2c1=O
InChIInChI=1S/C23H19ClN4O2S/c1-15(16-7-3-2-4-8-16)28-22(30)18-9-5-6-10-19(18)26-23(28)31-14-21(29)27-20-12-11-17(24)13-25-20/h2-13,15H,14H2,1H3,(H,25,27,29)
InChIKeyKCVWODYCCWRQMX-UHFFFAOYSA-N
XLogP4.78
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.95
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-2-pyridinyl)-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide with MolForge

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Related Compounds

N-benzyl-2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide
CID 2118284
N-benzyl-2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide
CID 2118283
N-(5-chloro-2-pyridinyl)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16569776
N-(5-chloro-2-pyridinyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3544836
N-butan-2-yl-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide
CID 18076375
2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanyl-N-[(2R)-pentan-2-yl]acetamide
CID 7500822
N-cyclopropyl-2-[[2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetyl]amino]benzamide
CID 41259058
2-phenacylsulfanyl-3-[(1R)-1-phenylethyl]quinazolin-4-one
CID 7500866
2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide
CID 2624390
2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide
CID 2624480
(2R)-N-(5-chloro-2-pyridinyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide
CID 9407482
(2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-chloro-2-pyridinyl)propanamide
CID 9329578

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide (CID 24604103) is N-(5-chloro-2-pyridinyl)-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide is CC(c1ccccc1)n1c(SCC(=O)Nc2ccc(Cl)cn2)nc2ccccc2c1=O.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide?
The InChIKey is KCVWODYCCWRQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O2S/c1-15(16-7-3-2-4-8-16)28-22(30)18-9-5-6-10-19(18)26-23(28)31-14-21(29)27-20-12-11-17(24)13-25-20/h2-13,15H,14H2,1H3,(H,25,27,29).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide?
N-(5-chloro-2-pyridinyl)-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide has a molecular weight of 450.95 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 24604103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).