7-chloro-5-methyl-2-(4-phenylpiperazine-1-carbonyl)thieno[3,2-c]quinolin-4-one

C23H20ClN3O2S — CID 20857381

IUPAC7-chloro-5-methyl-2-(4-phenylpiperazine-1-carbonyl)thieno[3,2-c]quinolin-4-one
SMILESCn1c(=O)c2cc(C(=O)N3CCN(c4ccccc4)CC3)sc2c2ccc(Cl)cc21
InChIInChI=1S/C23H20ClN3O2S/c1-25-19-13-15(24)7-8-17(19)21-18(22(25)28)14-20(30-21)23(29)27-11-9-26(10-12-27)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3
InChIKeyWHHXEGAHMZOMFA-UHFFFAOYSA-N
MW437.95 g/mol
LogP4.37
Rot. Bonds2

About 7-chloro-5-methyl-2-(4-phenylpiperazine-1-carbonyl)thieno[3,2-c]quinolin-4-one

7-chloro-5-methyl-2-(4-phenylpiperazine-1-carbonyl)thieno[3,2-c]quinolin-4-one (PubChem CID 20857381) has the molecular formula C23H20ClN3O2S and a molecular weight of 437.95 g/mol. Its IUPAC name is 7-chloro-5-methyl-2-(4-phenylpiperazine-1-carbonyl)thieno[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name7-chloro-5-methyl-2-(4-phenylpiperazine-1-carbonyl)thieno[3,2-c]quinolin-4-one
PubChem CID20857381
Molecular FormulaC23H20ClN3O2S
Molecular Weight437.95 g/mol
Exact Mass437.10
IUPAC Name7-chloro-5-methyl-2-(4-phenylpiperazine-1-carbonyl)thieno[3,2-c]quinolin-4-one
SMILESCn1c(=O)c2cc(C(=O)N3CCN(c4ccccc4)CC3)sc2c2ccc(Cl)cc21
InChIInChI=1S/C23H20ClN3O2S/c1-25-19-13-15(24)7-8-17(19)21-18(22(25)28)14-20(30-21)23(29)27-11-9-26(10-12-27)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3
InChIKeyWHHXEGAHMZOMFA-UHFFFAOYSA-N
XLogP4.37
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-ethylthieno[3,2-c]quinolin-4-one
CID 20865373
6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione
CID 42589979
5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one
CID 20865318
1-[6-chloro-3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone
CID 113213107
5-methyl-2-(4-piperidin-1-ylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one
CID 20857497
8-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-thieno[3,2-c]quinolin-4-one
CID 15987691
(4-chlorothieno[3,2-c]quinolin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 46256061
1-[4-[4-(4-chlorothieno[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 46256111
5-ethyl-2-(morpholine-4-carbonyl)thieno[3,2-c]quinolin-4-one
CID 5309656
7-chloro-N-(3-methoxyphenyl)-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 15997262
7-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20857389
[4-(3-chlorophenyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 9146285

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-2-(4-phenylpiperazine-1-carbonyl)thieno[3,2-c]quinolin-4-one?
The IUPAC name of 7-chloro-5-methyl-2-(4-phenylpiperazine-1-carbonyl)thieno[3,2-c]quinolin-4-one (CID 20857381) is 7-chloro-5-methyl-2-(4-phenylpiperazine-1-carbonyl)thieno[3,2-c]quinolin-4-one.
What is the SMILES notation for 7-chloro-5-methyl-2-(4-phenylpiperazine-1-carbonyl)thieno[3,2-c]quinolin-4-one?
The canonical SMILES for 7-chloro-5-methyl-2-(4-phenylpiperazine-1-carbonyl)thieno[3,2-c]quinolin-4-one is Cn1c(=O)c2cc(C(=O)N3CCN(c4ccccc4)CC3)sc2c2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-5-methyl-2-(4-phenylpiperazine-1-carbonyl)thieno[3,2-c]quinolin-4-one?
The InChIKey is WHHXEGAHMZOMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2S/c1-25-19-13-15(24)7-8-17(19)21-18(22(25)28)14-20(30-21)23(29)27-11-9-26(10-12-27)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3.
What are the key properties of 7-chloro-5-methyl-2-(4-phenylpiperazine-1-carbonyl)thieno[3,2-c]quinolin-4-one?
7-chloro-5-methyl-2-(4-phenylpiperazine-1-carbonyl)thieno[3,2-c]quinolin-4-one has a molecular weight of 437.95 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-2-(4-phenylpiperazine-1-carbonyl)thieno[3,2-c]quinolin-4-one is sourced from PubChem (CID 20857381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).