(4-chlorothieno[3,2-c]quinolin-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C23H20ClN3O2S — CID 46256029

IUPAC(4-chlorothieno[3,2-c]quinolin-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc3c(Cl)nc4ccccc4c3s2)CC1
InChIInChI=1S/C23H20ClN3O2S/c1-29-19-9-5-4-8-18(19)26-10-12-27(13-11-26)23(28)20-14-16-21(30-20)15-6-2-3-7-17(15)25-22(16)24/h2-9,14H,10-13H2,1H3
InChIKeyXTRXMQUOXXMFEX-UHFFFAOYSA-N
MW437.95 g/mol
LogP5.07
Rot. Bonds3

About (4-chlorothieno[3,2-c]quinolin-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

(4-chlorothieno[3,2-c]quinolin-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 46256029) has the molecular formula C23H20ClN3O2S and a molecular weight of 437.95 g/mol. Its IUPAC name is (4-chlorothieno[3,2-c]quinolin-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorothieno[3,2-c]quinolin-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID46256029
Molecular FormulaC23H20ClN3O2S
Molecular Weight437.95 g/mol
Exact Mass437.10
IUPAC Name(4-chlorothieno[3,2-c]quinolin-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc3c(Cl)nc4ccccc4c3s2)CC1
InChIInChI=1S/C23H20ClN3O2S/c1-29-19-9-5-4-8-18(19)26-10-12-27(13-11-26)23(28)20-14-16-21(30-20)15-6-2-3-7-17(15)25-22(16)24/h2-9,14H,10-13H2,1H3
InChIKeyXTRXMQUOXXMFEX-UHFFFAOYSA-N
XLogP5.07
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.95
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (4-chlorothieno[3,2-c]quinolin-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(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
[2-(5-chlorothiophen-2-yl)quinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 1022888
(4-chlorothieno[3,2-c]quinolin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 6622462
[4-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 2030782
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
CID 2332720
[4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5,6-tetrachloro-2-pyridinyl)methanone
CID 26912380
(3,5-dichloro-4-methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9034132
[4-(2-methoxyphenyl)piperazin-1-yl]-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 7494639
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
[2-(5-chlorothiophen-2-yl)quinolin-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 5055411
[2-(4-ethylphenyl)quinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 3554779

Frequently Asked Questions

What is the IUPAC name of (4-chlorothieno[3,2-c]quinolin-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-chlorothieno[3,2-c]quinolin-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 46256029) is (4-chlorothieno[3,2-c]quinolin-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorothieno[3,2-c]quinolin-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorothieno[3,2-c]quinolin-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2cc3c(Cl)nc4ccccc4c3s2)CC1.
What is the InChIKey of (4-chlorothieno[3,2-c]quinolin-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is XTRXMQUOXXMFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2S/c1-29-19-9-5-4-8-18(19)26-10-12-27(13-11-26)23(28)20-14-16-21(30-20)15-6-2-3-7-17(15)25-22(16)24/h2-9,14H,10-13H2,1H3.
What are the key properties of (4-chlorothieno[3,2-c]quinolin-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
(4-chlorothieno[3,2-c]quinolin-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 437.95 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorothieno[3,2-c]quinolin-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 46256029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).