1-[4-ethoxy-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]phenyl]ethanone

C20H20N2O2S — CID 7144829

IUPAC1-[4-ethoxy-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]phenyl]ethanone
SMILESCCOc1ccc(C(C)=O)cc1CSc1nc(C)nc2ccccc12
InChIInChI=1S/C20H20N2O2S/c1-4-24-19-10-9-15(13(2)23)11-16(19)12-25-20-17-7-5-6-8-18(17)21-14(3)22-20/h5-11H,4,12H2,1-3H3
InChIKeyJFIZOTCRRGQPGH-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.83
Rot. Bonds6

About 1-[4-ethoxy-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]phenyl]ethanone

1-[4-ethoxy-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]phenyl]ethanone (PubChem CID 7144829) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-[4-ethoxy-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-ethoxy-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]phenyl]ethanone
PubChem CID7144829
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name1-[4-ethoxy-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]phenyl]ethanone
SMILESCCOc1ccc(C(C)=O)cc1CSc1nc(C)nc2ccccc12
InChIInChI=1S/C20H20N2O2S/c1-4-24-19-10-9-15(13(2)23)11-16(19)12-25-20-17-7-5-6-8-18(17)21-14(3)22-20/h5-11H,4,12H2,1-3H3
InChIKeyJFIZOTCRRGQPGH-UHFFFAOYSA-N
XLogP4.83
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(3-chloro-2-pyridinyl)sulfanylmethyl]-4-ethoxyphenyl]ethanone
CID 60731108
1-[4-ethoxy-3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone
CID 2087960
1-[4-ethoxy-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]ethanone
CID 60626918
1-[3-[(2-chlorophenyl)sulfanylmethyl]-4-ethoxyphenyl]ethanone
CID 60624649
2-[(5-acetyl-2-ethoxyphenyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 135414603
1-[4-ethoxy-3-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]phenyl]ethanone
CID 112775591
1-[3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-4-ethoxyphenyl]ethanone
CID 43250419
1-[4-ethoxy-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone
CID 2663085
1-[3-[(3-aminophenyl)sulfanylmethyl]-4-ethoxyphenyl]ethanone
CID 79126861
2-[(5-acetyl-2-ethoxyphenyl)methylsulfanyl]acetic acid
CID 43237581
4-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-2-methylquinazoline
CID 112774793
4-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylquinazoline
CID 7145338

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethoxy-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]phenyl]ethanone?
The IUPAC name of 1-[4-ethoxy-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]phenyl]ethanone (CID 7144829) is 1-[4-ethoxy-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-ethoxy-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]phenyl]ethanone?
The canonical SMILES for 1-[4-ethoxy-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]phenyl]ethanone is CCOc1ccc(C(C)=O)cc1CSc1nc(C)nc2ccccc12.
What is the InChIKey of 1-[4-ethoxy-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]phenyl]ethanone?
The InChIKey is JFIZOTCRRGQPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-4-24-19-10-9-15(13(2)23)11-16(19)12-25-20-17-7-5-6-8-18(17)21-14(3)22-20/h5-11H,4,12H2,1-3H3.
What are the key properties of 1-[4-ethoxy-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]phenyl]ethanone?
1-[4-ethoxy-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]phenyl]ethanone has a molecular weight of 352.46 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethoxy-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]phenyl]ethanone is sourced from PubChem (CID 7144829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).