2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide

C18H20ClN5O3S — CID 24567371

IUPAC2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCOCCn1c(SCC(=O)Nc2cc(C)nn2C)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C18H20ClN5O3S/c1-11-8-15(23(2)22-11)21-16(25)10-28-18-20-14-9-12(19)4-5-13(14)17(26)24(18)6-7-27-3/h4-5,8-9H,6-7,10H2,1-3H3,(H,21,25)
InChIKeyXOVSWPAWBNBBKP-UHFFFAOYSA-N
MW421.91 g/mol
LogP2.47
Rot. Bonds7

About 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide

2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 24567371) has the molecular formula C18H20ClN5O3S and a molecular weight of 421.91 g/mol. Its IUPAC name is 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID24567371
Molecular FormulaC18H20ClN5O3S
Molecular Weight421.91 g/mol
Exact Mass421.10
IUPAC Name2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCOCCn1c(SCC(=O)Nc2cc(C)nn2C)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C18H20ClN5O3S/c1-11-8-15(23(2)22-11)21-16(25)10-28-18-20-14-9-12(19)4-5-13(14)17(26)24(18)6-7-27-3/h4-5,8-9H,6-7,10H2,1-3H3,(H,21,25)
InChIKeyXOVSWPAWBNBBKP-UHFFFAOYSA-N
XLogP2.47
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide with MolForge

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Related Compounds

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2102986
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 3987313
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2081425
N-(5-Chloro-2-methylphenyl)-4-({2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL}methyl)benzamide
CID 16022728
2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 16251141
N-[2-(7-chloro-4-oxo-3H-quinazolin-2-yl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 177647288
Ethyl 5-amino-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)-3-methylsulfanylpyrazole-4-carboxylate
CID 14743111
Ethyl 5-amino-1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)-3-methylsulfanylpyrazole-4-carboxylate
CID 14743116
N-(3-chloro-4-fluorophenyl)-2-({3-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide
CID 17025963
2-(5-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
CID 169091176
3-(2-(4-Chloro-1H-pyrazol-1-yl)ethyl)-2-(((2-methyl-5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidin-7-yl)methyl)thio)quinazolin-4(3H)-one
CID 135636322
methyl [2-{[(1,3-dimethyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]acetate
CID 135636402

Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide (CID 24567371) is 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide is COCCn1c(SCC(=O)Nc2cc(C)nn2C)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is XOVSWPAWBNBBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O3S/c1-11-8-15(23(2)22-11)21-16(25)10-28-18-20-14-9-12(19)4-5-13(14)17(26)24(18)6-7-27-3/h4-5,8-9H,6-7,10H2,1-3H3,(H,21,25).
What are the key properties of 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide?
2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 421.91 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 24567371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).