(3-chlorophenyl)-(6-piperazin-1-ylquinolin-3-yl)methanone

C20H18ClN3O — CID 69346649

IUPAC(3-chlorophenyl)-(6-piperazin-1-ylquinolin-3-yl)methanone
SMILESO=C(c1cccc(Cl)c1)c1cnc2ccc(N3CCNCC3)cc2c1
InChIInChI=1S/C20H18ClN3O/c21-17-3-1-2-14(11-17)20(25)16-10-15-12-18(4-5-19(15)23-13-16)24-8-6-22-7-9-24/h1-5,10-13,22H,6-9H2
InChIKeyOIRKNGFSUGDIHL-UHFFFAOYSA-N
MW351.84 g/mol
LogP3.53
Rot. Bonds3

About (3-chlorophenyl)-(6-piperazin-1-ylquinolin-3-yl)methanone

(3-chlorophenyl)-(6-piperazin-1-ylquinolin-3-yl)methanone (PubChem CID 69346649) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is (3-chlorophenyl)-(6-piperazin-1-ylquinolin-3-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(6-piperazin-1-ylquinolin-3-yl)methanone
PubChem CID69346649
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC Name(3-chlorophenyl)-(6-piperazin-1-ylquinolin-3-yl)methanone
SMILESO=C(c1cccc(Cl)c1)c1cnc2ccc(N3CCNCC3)cc2c1
InChIInChI=1S/C20H18ClN3O/c21-17-3-1-2-14(11-17)20(25)16-10-15-12-18(4-5-19(15)23-13-16)24-8-6-22-7-9-24/h1-5,10-13,22H,6-9H2
InChIKeyOIRKNGFSUGDIHL-UHFFFAOYSA-N
XLogP3.53
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-piperazin-1-ylquinoline;dihydrochloride
CID 54593446
6-chloroquinoline-3-carboxylic acid
CID 14241492
1-(3-bromoquinolin-6-yl)-2-(3-chlorophenyl)ethane-1,2-dione
CID 146662076
2-methyl-6-piperazin-1-ylquinoxaline
CID 117275288
6-(1,4-diazepan-1-yl)quinoline
CID 62635992
3-chloro-2-piperazin-1-yl-6-piperidin-1-ylquinoline
CID 166485216
2-chloro-5-piperazin-1-ylbenzoic acid
CID 83648477
3-chloro-N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]benzamide;N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]-3-fluorobenzamide
CID 158536189
(3-chlorophenyl)-(1-methylpyrazol-4-yl)methanone
CID 43161643
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 96588883
6-[2,5-difluoro-3-[3-(sulfinatoamino)propyl]benzoyl]-3-piperazin-1-ylquinoline
CID 90080283
(3-aminophenyl)-(3-chlorophenyl)methanone
CID 82115907

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(6-piperazin-1-ylquinolin-3-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(6-piperazin-1-ylquinolin-3-yl)methanone (CID 69346649) is (3-chlorophenyl)-(6-piperazin-1-ylquinolin-3-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(6-piperazin-1-ylquinolin-3-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(6-piperazin-1-ylquinolin-3-yl)methanone is O=C(c1cccc(Cl)c1)c1cnc2ccc(N3CCNCC3)cc2c1.
What is the InChIKey of (3-chlorophenyl)-(6-piperazin-1-ylquinolin-3-yl)methanone?
The InChIKey is OIRKNGFSUGDIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c21-17-3-1-2-14(11-17)20(25)16-10-15-12-18(4-5-19(15)23-13-16)24-8-6-22-7-9-24/h1-5,10-13,22H,6-9H2.
What are the key properties of (3-chlorophenyl)-(6-piperazin-1-ylquinolin-3-yl)methanone?
(3-chlorophenyl)-(6-piperazin-1-ylquinolin-3-yl)methanone has a molecular weight of 351.84 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(6-piperazin-1-ylquinolin-3-yl)methanone is sourced from PubChem (CID 69346649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).