2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

C24H24ClN5O3S — CID 16577422

IUPAC2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCOCCn1c(SCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C24H24ClN5O3S/c1-28(14-17-13-26-30(15-17)19-6-4-3-5-7-19)22(31)16-34-24-27-21-12-18(25)8-9-20(21)23(32)29(24)10-11-33-2/h3-9,12-13,15H,10-11,14,16H2,1-2H3
InChIKeyGLBFMCFYKOEATD-UHFFFAOYSA-N
MW498.01 g/mol
LogP3.63
Rot. Bonds9

About 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (PubChem CID 16577422) has the molecular formula C24H24ClN5O3S and a molecular weight of 498.01 g/mol. Its IUPAC name is 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
PubChem CID16577422
Molecular FormulaC24H24ClN5O3S
Molecular Weight498.01 g/mol
Exact Mass497.13
IUPAC Name2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCOCCn1c(SCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C24H24ClN5O3S/c1-28(14-17-13-26-30(15-17)19-6-4-3-5-7-19)22(31)16-34-24-27-21-12-18(25)8-9-20(21)23(32)29(24)10-11-33-2/h3-9,12-13,15H,10-11,14,16H2,1-2H3
InChIKeyGLBFMCFYKOEATD-UHFFFAOYSA-N
XLogP3.63
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.01
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-chloro-3-(3-methoxypropyl)-2-[(1-phenylpyrazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 112806360
2-[3-(2-methoxyethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 16578641
methyl 2-[2-[benzyl(methyl)amino]-2-oxoethyl]sulfanyl-3-(2-methoxyethyl)-4-oxoquinazoline-7-carboxylate
CID 4103735
N-benzyl-N-tert-butyl-2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2611072
N-benzyl-2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2611271
2-[7-chloro-3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 42402920
2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 2611286
2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4,6-dimethoxypyrimidin-2-yl)acetamide
CID 24577051
2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 16504959
2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 31458869
2-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8962293
N-(5-chloro-2-pyridinyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3544836

Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (CID 16577422) is 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is COCCn1c(SCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The InChIKey is GLBFMCFYKOEATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O3S/c1-28(14-17-13-26-30(15-17)19-6-4-3-5-7-19)22(31)16-34-24-27-21-12-18(25)8-9-20(21)23(32)29(24)10-11-33-2/h3-9,12-13,15H,10-11,14,16H2,1-2H3.
What are the key properties of 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide has a molecular weight of 498.01 g/mol, XLogP of 3.63, 9 rotatable bonds, 0 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-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 16577422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).