3-[[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide

C19H18ClN3O3S — CID 55631900

IUPAC3-[[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
SMILESCOCCn1c(SCc2cccc(C(N)=O)c2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C19H18ClN3O3S/c1-26-8-7-23-18(25)15-6-5-14(20)10-16(15)22-19(23)27-11-12-3-2-4-13(9-12)17(21)24/h2-6,9-10H,7-8,11H2,1H3,(H2,21,24)
InChIKeyRSDPWHNFEVSMKC-UHFFFAOYSA-N
MW403.89 g/mol
LogP3.09
Rot. Bonds7

About 3-[[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide

3-[[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide (PubChem CID 55631900) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is 3-[[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide.

Molecular Properties

Compound Name3-[[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
PubChem CID55631900
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC Name3-[[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
SMILESCOCCn1c(SCc2cccc(C(N)=O)c2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C19H18ClN3O3S/c1-26-8-7-23-18(25)15-6-5-14(20)10-16(15)22-19(23)27-11-12-3-2-4-13(9-12)17(21)24/h2-6,9-10H,7-8,11H2,1H3,(H2,21,24)
InChIKeyRSDPWHNFEVSMKC-UHFFFAOYSA-N
XLogP3.09
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-chloro-3-(2-methoxyethyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one
CID 16504999
7-chloro-3-(2-methoxyethyl)-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one
CID 2611038
N-benzyl-2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2611271
6-[[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 55479682
N-benzyl-N-tert-butyl-2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2611072
2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 2611286
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-dichlorophenyl)acetamide
CID 16504959
2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-quinolin-5-ylacetamide
CID 24593218
2-benzylsulfanyl-7-chloro-3-(3-ethoxypropyl)quinazolin-4-one
CID 55357472
2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4,6-dimethoxypyrimidin-2-yl)acetamide
CID 24577051
7-chloro-2-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one
CID 2611223

Frequently Asked Questions

What is the IUPAC name of 3-[[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide?
The IUPAC name of 3-[[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide (CID 55631900) is 3-[[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide.
What is the SMILES notation for 3-[[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide?
The canonical SMILES for 3-[[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide is COCCn1c(SCc2cccc(C(N)=O)c2)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 3-[[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide?
The InChIKey is RSDPWHNFEVSMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c1-26-8-7-23-18(25)15-6-5-14(20)10-16(15)22-19(23)27-11-12-3-2-4-13(9-12)17(21)24/h2-6,9-10H,7-8,11H2,1H3,(H2,21,24).
What are the key properties of 3-[[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide?
3-[[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide has a molecular weight of 403.89 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide is sourced from PubChem (CID 55631900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).