7-chloro-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-3-propan-2-ylquinazolin-4-one

C17H19ClN4O3S — CID 8726531

IUPAC7-chloro-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-3-propan-2-ylquinazolin-4-one
SMILESCC(C)n1c(S[C@H](C)C(=O)N2CCNC2=O)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C17H19ClN4O3S/c1-9(2)22-15(24)12-5-4-11(18)8-13(12)20-17(22)26-10(3)14(23)21-7-6-19-16(21)25/h4-5,8-10H,6-7H2,1-3H3,(H,19,25)/t10-/m1/s1
InChIKeyPUGXZJNKCRCSPW-SNVBAGLBSA-N
MW394.88 g/mol
LogP2.66
Rot. Bonds4

About 7-chloro-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-3-propan-2-ylquinazolin-4-one

7-chloro-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-3-propan-2-ylquinazolin-4-one (PubChem CID 8726531) has the molecular formula C17H19ClN4O3S and a molecular weight of 394.88 g/mol. Its IUPAC name is 7-chloro-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-3-propan-2-ylquinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-3-propan-2-ylquinazolin-4-one
PubChem CID8726531
Molecular FormulaC17H19ClN4O3S
Molecular Weight394.88 g/mol
Exact Mass394.09
IUPAC Name7-chloro-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-3-propan-2-ylquinazolin-4-one
SMILESCC(C)n1c(S[C@H](C)C(=O)N2CCNC2=O)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C17H19ClN4O3S/c1-9(2)22-15(24)12-5-4-11(18)8-13(12)20-17(22)26-10(3)14(23)21-7-6-19-16(21)25/h4-5,8-10H,6-7H2,1-3H3,(H,19,25)/t10-/m1/s1
InChIKeyPUGXZJNKCRCSPW-SNVBAGLBSA-N
XLogP2.66
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one
CID 42893462
(2R)-2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-cyclohexylpropanamide
CID 7428000
1-[(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 41023424
1-[(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 8861400
N-tert-butyl-2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 2624649
7-chloro-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-propan-2-ylquinazolin-4-one
CID 7427979
2-[1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-3-propan-2-ylquinazolin-4-one
CID 42984387
7-chloro-2-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]sulfanyl-3-propan-2-ylquinazolin-4-one
CID 16542414
2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide
CID 7428048
N-[2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide
CID 16569833
1-[2-[[4-(4-chlorophenyl)-5-[1-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 55422453
2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-quinolin-5-ylacetamide
CID 43039876

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-3-propan-2-ylquinazolin-4-one?
The IUPAC name of 7-chloro-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-3-propan-2-ylquinazolin-4-one (CID 8726531) is 7-chloro-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-3-propan-2-ylquinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-3-propan-2-ylquinazolin-4-one?
The canonical SMILES for 7-chloro-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-3-propan-2-ylquinazolin-4-one is CC(C)n1c(S[C@H](C)C(=O)N2CCNC2=O)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 7-chloro-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-3-propan-2-ylquinazolin-4-one?
The InChIKey is PUGXZJNKCRCSPW-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H19ClN4O3S/c1-9(2)22-15(24)12-5-4-11(18)8-13(12)20-17(22)26-10(3)14(23)21-7-6-19-16(21)25/h4-5,8-10H,6-7H2,1-3H3,(H,19,25)/t10-/m1/s1.
What are the key properties of 7-chloro-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-3-propan-2-ylquinazolin-4-one?
7-chloro-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-3-propan-2-ylquinazolin-4-one has a molecular weight of 394.88 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-3-propan-2-ylquinazolin-4-one is sourced from PubChem (CID 8726531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).