N-(cyclopropylcarbamoyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide

C19H22N4O4S — CID 7868979

IUPACN-(cyclopropylcarbamoyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)NC(=O)NC1CC1
InChIInChI=1S/C19H22N4O4S/c24-16(22-18(26)20-12-7-8-12)11-28-19-21-15-6-2-1-5-14(15)17(25)23(19)10-13-4-3-9-27-13/h1-2,5-6,12-13H,3-4,7-11H2,(H2,20,22,24,26)/t13-/m0/s1
InChIKeyYIMZZIDRORRJLS-ZDUSSCGKSA-N
MW402.48 g/mol
LogP1.66
Rot. Bonds6

About N-(cyclopropylcarbamoyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide

N-(cyclopropylcarbamoyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide (PubChem CID 7868979) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-(cyclopropylcarbamoyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(cyclopropylcarbamoyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
PubChem CID7868979
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC NameN-(cyclopropylcarbamoyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)NC(=O)NC1CC1
InChIInChI=1S/C19H22N4O4S/c24-16(22-18(26)20-12-7-8-12)11-28-19-21-15-6-2-1-5-14(15)17(25)23(19)10-13-4-3-9-27-13/h1-2,5-6,12-13H,3-4,7-11H2,(H2,20,22,24,26)/t13-/m0/s1
InChIKeyYIMZZIDRORRJLS-ZDUSSCGKSA-N
XLogP1.66
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(cyclopropylcarbamoyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide with MolForge

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Related Compounds

N-cycloheptyl-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7515508
N-carbamoyl-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 2651496
3-(oxolan-2-ylmethyl)-2-phenacylsulfanylquinazolin-4-one
CID 4249826
N-[(1R,2R)-2-methylcyclohexyl]-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7869056
N-(2-methylphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide
CID 3169104
methyl 2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetate
CID 3169105
N-(2-chlorophenyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 1071954
N-(2-methylbutan-2-yl)-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 8581837
N-[(2S)-3-methylbutan-2-yl]-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7869030
N-(4-chlorophenyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 1155469
N-[(4-methylphenyl)methyl]-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7515362
N-(1-cyclopropylethyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide
CID 51215577

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylcarbamoyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(cyclopropylcarbamoyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide (CID 7868979) is N-(cyclopropylcarbamoyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(cyclopropylcarbamoyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(cyclopropylcarbamoyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide is O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)NC(=O)NC1CC1.
What is the InChIKey of N-(cyclopropylcarbamoyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide?
The InChIKey is YIMZZIDRORRJLS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N4O4S/c24-16(22-18(26)20-12-7-8-12)11-28-19-21-15-6-2-1-5-14(15)17(25)23(19)10-13-4-3-9-27-13/h1-2,5-6,12-13H,3-4,7-11H2,(H2,20,22,24,26)/t13-/m0/s1.
What are the key properties of N-(cyclopropylcarbamoyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide?
N-(cyclopropylcarbamoyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide has a molecular weight of 402.48 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylcarbamoyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 7868979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).