2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-quinolin-5-ylacetamide

C22H19ClN4O2S — CID 43039876

IUPAC2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-quinolin-5-ylacetamide
SMILESCC(C)n1c(SCC(=O)Nc2cccc3ncccc23)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C22H19ClN4O2S/c1-13(2)27-21(29)16-9-8-14(23)11-19(16)26-22(27)30-12-20(28)25-18-7-3-6-17-15(18)5-4-10-24-17/h3-11,13H,12H2,1-2H3,(H,25,28)
InChIKeyYQBQEQFQBMBFAA-UHFFFAOYSA-N
MW438.94 g/mol
LogP4.91
Rot. Bonds5

About 2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-quinolin-5-ylacetamide

2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-quinolin-5-ylacetamide (PubChem CID 43039876) has the molecular formula C22H19ClN4O2S and a molecular weight of 438.94 g/mol. Its IUPAC name is 2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-quinolin-5-ylacetamide.

Molecular Properties

Compound Name2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-quinolin-5-ylacetamide
PubChem CID43039876
Molecular FormulaC22H19ClN4O2S
Molecular Weight438.94 g/mol
Exact Mass438.09
IUPAC Name2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-quinolin-5-ylacetamide
SMILESCC(C)n1c(SCC(=O)Nc2cccc3ncccc23)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C22H19ClN4O2S/c1-13(2)27-21(29)16-9-8-14(23)11-19(16)26-22(27)30-12-20(28)25-18-7-3-6-17-15(18)5-4-10-24-17/h3-11,13H,12H2,1-2H3,(H,25,28)
InChIKeyYQBQEQFQBMBFAA-UHFFFAOYSA-N
XLogP4.91
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-quinolin-5-ylacetamide with MolForge

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Related Compounds

2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-quinolin-5-ylacetamide
CID 24593218
N-tert-butyl-2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 2624649
N-[2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide
CID 16569833
2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide
CID 2624480
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-quinolin-5-ylacetamide
CID 43039525
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 5217741
2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-quinolin-5-ylacetamide
CID 43040259
7-chloro-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-propan-2-ylquinazolin-4-one
CID 7427979
N-(2,5-dichlorophenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1075082
7-chloro-2-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]sulfanyl-3-propan-2-ylquinazolin-4-one
CID 16542414
2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide
CID 55772201
N-(5-chloro-2-pyridinyl)-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide
CID 24604103

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-quinolin-5-ylacetamide?
The IUPAC name of 2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-quinolin-5-ylacetamide (CID 43039876) is 2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-quinolin-5-ylacetamide.
What is the SMILES notation for 2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-quinolin-5-ylacetamide?
The canonical SMILES for 2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-quinolin-5-ylacetamide is CC(C)n1c(SCC(=O)Nc2cccc3ncccc23)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-quinolin-5-ylacetamide?
The InChIKey is YQBQEQFQBMBFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2S/c1-13(2)27-21(29)16-9-8-14(23)11-19(16)26-22(27)30-12-20(28)25-18-7-3-6-17-15(18)5-4-10-24-17/h3-11,13H,12H2,1-2H3,(H,25,28).
What are the key properties of 2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-quinolin-5-ylacetamide?
2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-quinolin-5-ylacetamide has a molecular weight of 438.94 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-quinolin-5-ylacetamide is sourced from PubChem (CID 43039876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).