2-[3-(cyclobutylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid

C15H16N2O3S — CID 43298853

IUPAC2-[3-(cyclobutylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nc2ccccc2c(=O)n1CC1CCC1
InChIInChI=1S/C15H16N2O3S/c18-13(19)9-21-15-16-12-7-2-1-6-11(12)14(20)17(15)8-10-4-3-5-10/h1-2,6-7,10H,3-5,8-9H2,(H,18,19)
InChIKeyMFJGFULQWTZIEP-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.37
Rot. Bonds5

About 2-[3-(cyclobutylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid

2-[3-(cyclobutylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid (PubChem CID 43298853) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[3-(cyclobutylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[3-(cyclobutylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid
PubChem CID43298853
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-[3-(cyclobutylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nc2ccccc2c(=O)n1CC1CCC1
InChIInChI=1S/C15H16N2O3S/c18-13(19)9-21-15-16-12-7-2-1-6-11(12)14(20)17(15)8-10-4-3-5-10/h1-2,6-7,10H,3-5,8-9H2,(H,18,19)
InChIKeyMFJGFULQWTZIEP-UHFFFAOYSA-N
XLogP2.37
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-(cyclopentylmethyl)quinazolin-4-one
CID 2865024
2-[1-(cyclobutylmethyl)-6,7-difluorobenzimidazol-2-yl]sulfanylacetic acid
CID 62531701
2-[3-(cyclopropylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid
CID 43525520
3-(oxolan-2-ylmethyl)-2-phenacylsulfanylquinazolin-4-one
CID 4249826
N,N-dimethyl-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7869023
2-[1-(cyclopropylmethyl)-7-methylbenzimidazol-2-yl]sulfanylacetic acid
CID 115552054
2-[3-(2-methoxy-2-oxoethyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid
CID 14721779
N-cyclohexyl-N-methyl-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7515514
methyl 2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetate
CID 3169105
ethyl 2-[3-[[4-(benzylcarbamoyl)cyclohexyl]methyl]-4-oxoquinazolin-2-yl]sulfanylacetate
CID 5323147
4-[[2-[(2-cyanophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]methyl]cyclohexane-1-carboxylic acid
CID 123278008
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclopropylmethyl)-N-methylacetamide
CID 55847606

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclobutylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[3-(cyclobutylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid (CID 43298853) is 2-[3-(cyclobutylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[3-(cyclobutylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[3-(cyclobutylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid is O=C(O)CSc1nc2ccccc2c(=O)n1CC1CCC1.
What is the InChIKey of 2-[3-(cyclobutylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid?
The InChIKey is MFJGFULQWTZIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c18-13(19)9-21-15-16-12-7-2-1-6-11(12)14(20)17(15)8-10-4-3-5-10/h1-2,6-7,10H,3-5,8-9H2,(H,18,19).
What are the key properties of 2-[3-(cyclobutylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid?
2-[3-(cyclobutylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid has a molecular weight of 304.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclobutylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 43298853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).