1-(2-chlorophenothiazin-10-yl)-3-pyrrolidin-1-ylpropan-1-one

C19H19ClN2OS — CID 121238698

IUPAC1-(2-chlorophenothiazin-10-yl)-3-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCC1)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C19H19ClN2OS/c20-14-7-8-18-16(13-14)22(15-5-1-2-6-17(15)24-18)19(23)9-12-21-10-3-4-11-21/h1-2,5-8,13H,3-4,9-12H2
InChIKeyHNWZPBWCXMHKQM-UHFFFAOYSA-N
MW358.89 g/mol
LogP4.96
Rot. Bonds3

About 1-(2-chlorophenothiazin-10-yl)-3-pyrrolidin-1-ylpropan-1-one

1-(2-chlorophenothiazin-10-yl)-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 121238698) has the molecular formula C19H19ClN2OS and a molecular weight of 358.89 g/mol. Its IUPAC name is 1-(2-chlorophenothiazin-10-yl)-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-chlorophenothiazin-10-yl)-3-pyrrolidin-1-ylpropan-1-one
PubChem CID121238698
Molecular FormulaC19H19ClN2OS
Molecular Weight358.89 g/mol
Exact Mass358.09
IUPAC Name1-(2-chlorophenothiazin-10-yl)-3-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCC1)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C19H19ClN2OS/c20-14-7-8-18-16(13-14)22(15-5-1-2-6-17(15)24-18)19(23)9-12-21-10-3-4-11-21/h1-2,5-8,13H,3-4,9-12H2
InChIKeyHNWZPBWCXMHKQM-UHFFFAOYSA-N
XLogP4.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenothiazin-10-yl)-3-morpholin-4-ylpropan-1-one
CID 1304402
1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone
CID 1114043
1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone;hydrochloride
CID 2861917
3-amino-1-(2-chlorophenothiazin-10-yl)propan-1-one;hydrochloride
CID 24747135
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-chlorophenothiazin-10-yl)propan-1-one;bis((Z)-but-2-enedioic acid)
CID 131879772
7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1-(2-chlorophenothiazin-10-yl)heptan-1-one
CID 7000397
1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone
CID 709851
4-(2-chlorophenothiazin-10-yl)-4-oxo-N-phenylbutanamide
CID 102095506
3-(4-methylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one;dihydrochloride
CID 2834211
1-(2-chlorophenothiazin-10-yl)-3-morpholin-4-ium-4-ylpropan-1-one chloride
CID 44658220
4-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]piperazin-2-one
CID 8548058
8-chloro-11-(3-pyrrolidin-1-ylpropanoyl)-5H-benzo[b][1,4]benzodiazepin-6-one
CID 12834687

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenothiazin-10-yl)-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-(2-chlorophenothiazin-10-yl)-3-pyrrolidin-1-ylpropan-1-one (CID 121238698) is 1-(2-chlorophenothiazin-10-yl)-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-chlorophenothiazin-10-yl)-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-(2-chlorophenothiazin-10-yl)-3-pyrrolidin-1-ylpropan-1-one is O=C(CCN1CCCC1)N1c2ccccc2Sc2ccc(Cl)cc21.
What is the InChIKey of 1-(2-chlorophenothiazin-10-yl)-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is HNWZPBWCXMHKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2OS/c20-14-7-8-18-16(13-14)22(15-5-1-2-6-17(15)24-18)19(23)9-12-21-10-3-4-11-21/h1-2,5-8,13H,3-4,9-12H2.
What are the key properties of 1-(2-chlorophenothiazin-10-yl)-3-pyrrolidin-1-ylpropan-1-one?
1-(2-chlorophenothiazin-10-yl)-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 358.89 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenothiazin-10-yl)-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 121238698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).