(4-ethylpiperazin-1-yl)-[4-(quinolin-7-ylmethylamino)phenyl]methanone

C23H26N4O — CID 166360675

IUPAC(4-ethylpiperazin-1-yl)-[4-(quinolin-7-ylmethylamino)phenyl]methanone
SMILESCCN1CCN(C(=O)c2ccc(NCc3ccc4cccnc4c3)cc2)CC1
InChIInChI=1S/C23H26N4O/c1-2-26-12-14-27(15-13-26)23(28)20-7-9-21(10-8-20)25-17-18-5-6-19-4-3-11-24-22(19)16-18/h3-11,16,25H,2,12-15,17H2,1H3
InChIKeyKLCGZXUCSGNFFJ-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.62
Rot. Bonds5

About (4-ethylpiperazin-1-yl)-[4-(quinolin-7-ylmethylamino)phenyl]methanone

(4-ethylpiperazin-1-yl)-[4-(quinolin-7-ylmethylamino)phenyl]methanone (PubChem CID 166360675) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[4-(quinolin-7-ylmethylamino)phenyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[4-(quinolin-7-ylmethylamino)phenyl]methanone
PubChem CID166360675
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name(4-ethylpiperazin-1-yl)-[4-(quinolin-7-ylmethylamino)phenyl]methanone
SMILESCCN1CCN(C(=O)c2ccc(NCc3ccc4cccnc4c3)cc2)CC1
InChIInChI=1S/C23H26N4O/c1-2-26-12-14-27(15-13-26)23(28)20-7-9-21(10-8-20)25-17-18-5-6-19-4-3-11-24-22(19)16-18/h3-11,16,25H,2,12-15,17H2,1H3
InChIKeyKLCGZXUCSGNFFJ-UHFFFAOYSA-N
XLogP3.62
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(naphthalen-2-ylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 91187389
[4-[1-[4-(naphthalen-2-ylmethylamino)benzoyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 59625930
(4-propan-2-ylpiperazin-1-yl)-quinolin-7-ylmethanone
CID 162199187
(4-ethylpiperazin-1-yl)-[5-[(3-methylphenyl)methylamino]-3-pyridinyl]methanone
CID 109230416
(4-ethylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone
CID 109230428
[2-(benzylamino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109253999
(4-ethylpiperazin-1-yl)-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methanone
CID 109186613
[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109186615
(4-ethylpiperazin-1-yl)-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109302527
(4-ethylpiperazin-1-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 43924627
[4-(2-aminoethyl)piperazin-1-yl]-quinolin-6-ylmethanone
CID 62850573
5-[(4-ethylpiperazin-1-yl)methyl]-N-(quinolin-6-ylmethyl)pyridin-2-amine
CID 171675677

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[4-(quinolin-7-ylmethylamino)phenyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[4-(quinolin-7-ylmethylamino)phenyl]methanone (CID 166360675) is (4-ethylpiperazin-1-yl)-[4-(quinolin-7-ylmethylamino)phenyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[4-(quinolin-7-ylmethylamino)phenyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[4-(quinolin-7-ylmethylamino)phenyl]methanone is CCN1CCN(C(=O)c2ccc(NCc3ccc4cccnc4c3)cc2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[4-(quinolin-7-ylmethylamino)phenyl]methanone?
The InChIKey is KLCGZXUCSGNFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-2-26-12-14-27(15-13-26)23(28)20-7-9-21(10-8-20)25-17-18-5-6-19-4-3-11-24-22(19)16-18/h3-11,16,25H,2,12-15,17H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[4-(quinolin-7-ylmethylamino)phenyl]methanone?
(4-ethylpiperazin-1-yl)-[4-(quinolin-7-ylmethylamino)phenyl]methanone has a molecular weight of 374.49 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[4-(quinolin-7-ylmethylamino)phenyl]methanone is sourced from PubChem (CID 166360675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).