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

C24H26ClN3O3S — CID 55523574

IUPAC2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
SMILESCOCCn1c(SCC(=O)NC(c2ccc(C)cc2)C2CC2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C24H26ClN3O3S/c1-15-3-5-16(6-4-15)22(17-7-8-17)27-21(29)14-32-24-26-20-13-18(25)9-10-19(20)23(30)28(24)11-12-31-2/h3-6,9-10,13,17,22H,7-8,11-12,14H2,1-2H3,(H,27,29)
InChIKeyVXANBITYUSWRLN-UHFFFAOYSA-N
MW472.01 g/mol
LogP4.36
Rot. Bonds9

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

2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide (PubChem CID 55523574) has the molecular formula C24H26ClN3O3S and a molecular weight of 472.01 g/mol. Its IUPAC name is 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
PubChem CID55523574
Molecular FormulaC24H26ClN3O3S
Molecular Weight472.01 g/mol
Exact Mass471.14
IUPAC Name2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
SMILESCOCCn1c(SCC(=O)NC(c2ccc(C)cc2)C2CC2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C24H26ClN3O3S/c1-15-3-5-16(6-4-15)22(17-7-8-17)27-21(29)14-32-24-26-20-13-18(25)9-10-19(20)23(30)28(24)11-12-31-2/h3-6,9-10,13,17,22H,7-8,11-12,14H2,1-2H3,(H,27,29)
InChIKeyVXANBITYUSWRLN-UHFFFAOYSA-N
XLogP4.36
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.01
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 2611286
7-chloro-3-(2-methoxyethyl)-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one
CID 2611038
2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 42971675
N-benzyl-2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2611271
2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 16504959
2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4,6-dimethoxypyrimidin-2-yl)acetamide
CID 24577051
2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyethyl)acetamide
CID 2645284
7-chloro-3-(2-methoxyethyl)-2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one
CID 2611042
2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(3,4-dimethylphenyl)carbamoyl]acetamide
CID 46638772
N-(butylcarbamoyl)-2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 27361380
2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyclopropylethyl)acetamide
CID 55403246
2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-quinolin-5-ylacetamide
CID 24593218

Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide (CID 55523574) is 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide is COCCn1c(SCC(=O)NC(c2ccc(C)cc2)C2CC2)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide?
The InChIKey is VXANBITYUSWRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3S/c1-15-3-5-16(6-4-15)22(17-7-8-17)27-21(29)14-32-24-26-20-13-18(25)9-10-19(20)23(30)28(24)11-12-31-2/h3-6,9-10,13,17,22H,7-8,11-12,14H2,1-2H3,(H,27,29).
What are the key properties of 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide?
2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide has a molecular weight of 472.01 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 55523574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).