2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one

C24H26N4OS — CID 24579367

IUPAC2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCC(Sc1nc(C2CC2)nc2ccccc12)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H26N4OS/c1-17(24(29)28-15-13-27(14-16-28)19-7-3-2-4-8-19)30-23-20-9-5-6-10-21(20)25-22(26-23)18-11-12-18/h2-10,17-18H,11-16H2,1H3
InChIKeyFONSUXQZOGPOLF-UHFFFAOYSA-N
MW418.57 g/mol
LogP4.34
Rot. Bonds5

About 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one

2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 24579367) has the molecular formula C24H26N4OS and a molecular weight of 418.57 g/mol. Its IUPAC name is 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID24579367
Molecular FormulaC24H26N4OS
Molecular Weight418.57 g/mol
Exact Mass418.18
IUPAC Name2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCC(Sc1nc(C2CC2)nc2ccccc12)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H26N4OS/c1-17(24(29)28-15-13-27(14-16-28)19-7-3-2-4-8-19)30-23-20-9-5-6-10-21(20)25-22(26-23)18-11-12-18/h2-10,17-18H,11-16H2,1H3
InChIKeyFONSUXQZOGPOLF-UHFFFAOYSA-N
XLogP4.34
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylpiperidin-1-yl)-2-(2-methylquinazolin-4-yl)sulfanylpropan-1-one
CID 78468421
N-(cyclopentylcarbamoyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylpropanamide
CID 24579373
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-[4-(1-phenylethyl)piperazin-1-yl]ethanone
CID 24579297
3-(3,5-dimethylphenyl)-2-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanylquinazolin-4-one
CID 46618478
1-(3,5-dimethylpiperidin-1-yl)-2-(2-methylquinazolin-4-yl)sulfanylpropan-1-one
CID 112774796
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide
CID 24579333
1-(4-phenylpiperazin-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one
CID 51280487
(2R)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41103853
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide
CID 24579334
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 24579343
(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-methylquinazolin-4-yl)sulfanylpropan-1-one
CID 7145311
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 51235450

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 24579367) is 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one is CC(Sc1nc(C2CC2)nc2ccccc12)C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is FONSUXQZOGPOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4OS/c1-17(24(29)28-15-13-27(14-16-28)19-7-3-2-4-8-19)30-23-20-9-5-6-10-21(20)25-22(26-23)18-11-12-18/h2-10,17-18H,11-16H2,1H3.
What are the key properties of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one?
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 418.57 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 24579367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).