2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide

C19H25N3O2S — CID 47044762

IUPAC2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide
SMILESCc1ccc2nc(SCC(=O)NC3CCCCC3C)n(C)c(=O)c2c1
InChIInChI=1S/C19H25N3O2S/c1-12-8-9-16-14(10-12)18(24)22(3)19(21-16)25-11-17(23)20-15-7-5-4-6-13(15)2/h8-10,13,15H,4-7,11H2,1-3H3,(H,20,23)
InChIKeyPCSRQYLFQRFMDD-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.03
Rot. Bonds4

About 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide

2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide (PubChem CID 47044762) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide
PubChem CID47044762
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide
SMILESCc1ccc2nc(SCC(=O)NC3CCCCC3C)n(C)c(=O)c2c1
InChIInChI=1S/C19H25N3O2S/c1-12-8-9-16-14(10-12)18(24)22(3)19(21-16)25-11-17(23)20-15-7-5-4-6-13(15)2/h8-10,13,15H,4-7,11H2,1-3H3,(H,20,23)
InChIKeyPCSRQYLFQRFMDD-UHFFFAOYSA-N
XLogP3.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylcyclohexyl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 51280323
N-[(1R,2R)-2-methylcyclohexyl]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7845524
2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 8674921
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 55752674
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7989252
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7989255
N-[(1R,2S)-2-methylcyclohexyl]-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 2685496
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7855356
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylphenyl)sulfanylacetamide
CID 894002
2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7465789
2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7870852
2-(3-hydroxypropylsulfanyl)-3,6-dimethylquinazolin-4-one
CID 111127184

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide (CID 47044762) is 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide is Cc1ccc2nc(SCC(=O)NC3CCCCC3C)n(C)c(=O)c2c1.
What is the InChIKey of 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide?
The InChIKey is PCSRQYLFQRFMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-12-8-9-16-14(10-12)18(24)22(3)19(21-16)25-11-17(23)20-15-7-5-4-6-13(15)2/h8-10,13,15H,4-7,11H2,1-3H3,(H,20,23).
What are the key properties of 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide?
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide has a molecular weight of 359.50 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 47044762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).