2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]sulfanyl]-3-propylquinazolin-4-one

C22H23ClN4O2S — CID 56584528

IUPAC2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]sulfanyl]-3-propylquinazolin-4-one
SMILESCCCn1c(Sc2ncc(C(=O)N3CCCCC3)cc2Cl)nc2ccccc2c1=O
InChIInChI=1S/C22H23ClN4O2S/c1-2-10-27-21(29)16-8-4-5-9-18(16)25-22(27)30-19-17(23)13-15(14-24-19)20(28)26-11-6-3-7-12-26/h4-5,8-9,13-14H,2-3,6-7,10-12H2,1H3
InChIKeyLMNNVHRCGPPZLZ-UHFFFAOYSA-N
MW442.97 g/mol
LogP4.63
Rot. Bonds5

About 2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]sulfanyl]-3-propylquinazolin-4-one

2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]sulfanyl]-3-propylquinazolin-4-one (PubChem CID 56584528) has the molecular formula C22H23ClN4O2S and a molecular weight of 442.97 g/mol. Its IUPAC name is 2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]sulfanyl]-3-propylquinazolin-4-one.

Molecular Properties

Compound Name2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]sulfanyl]-3-propylquinazolin-4-one
PubChem CID56584528
Molecular FormulaC22H23ClN4O2S
Molecular Weight442.97 g/mol
Exact Mass442.12
IUPAC Name2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]sulfanyl]-3-propylquinazolin-4-one
SMILESCCCn1c(Sc2ncc(C(=O)N3CCCCC3)cc2Cl)nc2ccccc2c1=O
InChIInChI=1S/C22H23ClN4O2S/c1-2-10-27-21(29)16-8-4-5-9-18(16)25-22(27)30-19-17(23)13-15(14-24-19)20(28)26-11-6-3-7-12-26/h4-5,8-9,13-14H,2-3,6-7,10-12H2,1H3
InChIKeyLMNNVHRCGPPZLZ-UHFFFAOYSA-N
XLogP4.63
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.97
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]sulfanyl]-3-propylquinazolin-4-one with MolForge

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Related Compounds

2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-propylquinazolin-4-one
CID 46925071
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-propylquinazolin-4-one
CID 46925066
3-(3-hydroxypropyl)-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one
CID 32974053
3-(3-phenylpropyl)-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one
CID 32974559
[6-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone
CID 56584891
[5-chloro-6-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56584955
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-propylquinazolin-4-one
CID 8000214
3-(3-hydroxypropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 18083124
2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-3-propylquinazolin-4-one
CID 2481575
3-(3-hydroxypropyl)-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]sulfanylquinazolin-4-one
CID 24523632
2-[4-oxo-3-(2-phenylethyl)-7-(piperidine-1-carbonyl)quinazolin-2-yl]sulfanylacetonitrile
CID 15997017
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(2-phenylethyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one
CID 22333569

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]sulfanyl]-3-propylquinazolin-4-one?
The IUPAC name of 2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]sulfanyl]-3-propylquinazolin-4-one (CID 56584528) is 2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]sulfanyl]-3-propylquinazolin-4-one.
What is the SMILES notation for 2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]sulfanyl]-3-propylquinazolin-4-one?
The canonical SMILES for 2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]sulfanyl]-3-propylquinazolin-4-one is CCCn1c(Sc2ncc(C(=O)N3CCCCC3)cc2Cl)nc2ccccc2c1=O.
What is the InChIKey of 2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]sulfanyl]-3-propylquinazolin-4-one?
The InChIKey is LMNNVHRCGPPZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2S/c1-2-10-27-21(29)16-8-4-5-9-18(16)25-22(27)30-19-17(23)13-15(14-24-19)20(28)26-11-6-3-7-12-26/h4-5,8-9,13-14H,2-3,6-7,10-12H2,1H3.
What are the key properties of 2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]sulfanyl]-3-propylquinazolin-4-one?
2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]sulfanyl]-3-propylquinazolin-4-one has a molecular weight of 442.97 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]sulfanyl]-3-propylquinazolin-4-one is sourced from PubChem (CID 56584528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).