5-chloro-6-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3H-quinazolin-4-one

C19H20ClN5OS — CID 174363975

IUPAC5-chloro-6-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3H-quinazolin-4-one
SMILESCC1(C)CCN(c2cnc(Sc3ccc4nc[nH]c(=O)c4c3Cl)cn2)CC1
InChIInChI=1S/C19H20ClN5OS/c1-19(2)5-7-25(8-6-19)14-9-22-15(10-21-14)27-13-4-3-12-16(17(13)20)18(26)24-11-23-12/h3-4,9-11H,5-8H2,1-2H3,(H,23,24,26)
InChIKeyZBRTYXSPNDVBLR-UHFFFAOYSA-N
MW401.92 g/mol
LogP4.14
Rot. Bonds3

About 5-chloro-6-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3H-quinazolin-4-one

5-chloro-6-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3H-quinazolin-4-one (PubChem CID 174363975) has the molecular formula C19H20ClN5OS and a molecular weight of 401.92 g/mol. Its IUPAC name is 5-chloro-6-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name5-chloro-6-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3H-quinazolin-4-one
PubChem CID174363975
Molecular FormulaC19H20ClN5OS
Molecular Weight401.92 g/mol
Exact Mass401.11
IUPAC Name5-chloro-6-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3H-quinazolin-4-one
SMILESCC1(C)CCN(c2cnc(Sc3ccc4nc[nH]c(=O)c4c3Cl)cn2)CC1
InChIInChI=1S/C19H20ClN5OS/c1-19(2)5-7-25(8-6-19)14-9-22-15(10-21-14)27-13-4-3-12-16(17(13)20)18(26)24-11-23-12/h3-4,9-11H,5-8H2,1-2H3,(H,23,24,26)
InChIKeyZBRTYXSPNDVBLR-UHFFFAOYSA-N
XLogP4.14
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-6-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3H-quinazolin-4-one with MolForge

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Related Compounds

tert-butyl N-[(6R)-1'-[5-[(5-chloro-4-oxo-3H-quinazolin-6-yl)sulfanyl]pyrazin-2-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]carbamate
CID 166465234
[1-[5-(3-benzyl-5-chloro-4-oxoquinazolin-6-yl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methylcarbamic acid
CID 174232624
6-[3-amino-5-[(4S)-4-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-5-chloro-3H-quinazolin-4-one
CID 167307661
3-chloro-4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-1H-pyridin-2-one
CID 145210194
5-chloro-3-(2-oxopropyl)-6-(5-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazin-2-yl)sulfanylquinazolin-4-one
CID 167307699
5-chloro-6-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-(oxolan-3-ylmethyl)quinazolin-4-one
CID 167307823
1-[(1S)-1'-[6-[(5-chloro-4-oxo-3H-quinazolin-6-yl)sulfanyl]-1,2,4-triazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 171750385
6-[5-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-5-chloro-3-(2-oxo-2-pyridin-3-ylethyl)quinazolin-4-one
CID 174364031
6-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-5-chloro-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 166465089
4-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-1H-pyridin-2-one
CID 142434039
tert-butyl N-[[1-[5-(3-benzyl-5-chloro-4-oxoquinazolin-6-yl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methyl]carbamate
CID 166465072
2-(4,4-dimethylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine
CID 135194206

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3H-quinazolin-4-one?
The IUPAC name of 5-chloro-6-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3H-quinazolin-4-one (CID 174363975) is 5-chloro-6-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3H-quinazolin-4-one.
What is the SMILES notation for 5-chloro-6-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3H-quinazolin-4-one?
The canonical SMILES for 5-chloro-6-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3H-quinazolin-4-one is CC1(C)CCN(c2cnc(Sc3ccc4nc[nH]c(=O)c4c3Cl)cn2)CC1.
What is the InChIKey of 5-chloro-6-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3H-quinazolin-4-one?
The InChIKey is ZBRTYXSPNDVBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5OS/c1-19(2)5-7-25(8-6-19)14-9-22-15(10-21-14)27-13-4-3-12-16(17(13)20)18(26)24-11-23-12/h3-4,9-11H,5-8H2,1-2H3,(H,23,24,26).
What are the key properties of 5-chloro-6-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3H-quinazolin-4-one?
5-chloro-6-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3H-quinazolin-4-one has a molecular weight of 401.92 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3H-quinazolin-4-one is sourced from PubChem (CID 174363975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).