1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-1-one

C16H18ClN3O — CID 2823727

IUPAC1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C16H18ClN3O/c1-2-16(21)20-9-7-19(8-10-20)15-5-6-18-14-11-12(17)3-4-13(14)15/h3-6,11H,2,7-10H2,1H3
InChIKeySMCUMUSHPASMPO-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.95
Rot. Bonds2

About 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-1-one

1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-1-one (PubChem CID 2823727) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-1-one
PubChem CID2823727
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C16H18ClN3O/c1-2-16(21)20-9-7-19(8-10-20)15-5-6-18-14-11-12(17)3-4-13(14)15/h3-6,11H,2,7-10H2,1H3
InChIKeySMCUMUSHPASMPO-UHFFFAOYSA-N
XLogP2.95
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-1-one (CID 2823727) is 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-1-one?
The InChIKey is SMCUMUSHPASMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-2-16(21)20-9-7-19(8-10-20)15-5-6-18-14-11-12(17)3-4-13(14)15/h3-6,11H,2,7-10H2,1H3.
What are the key properties of 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-1-one?
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-1-one has a molecular weight of 303.79 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 2823727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).