2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline

C28H30FN5O — CID 141191461

IUPAC2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline
SMILESCOc1ccc(N2CCN(C3CCN(c4cccc5ccc(F)nc45)CC3)CC2)c2ncccc12
InChIInChI=1S/C28H30FN5O/c1-35-25-9-8-24(28-22(25)5-3-13-30-28)34-18-16-32(17-19-34)21-11-14-33(15-12-21)23-6-2-4-20-7-10-26(29)31-27(20)23/h2-10,13,21H,11-12,14-19H2,1H3
InChIKeyDXBNCUUXJODAFV-UHFFFAOYSA-N
MW471.58 g/mol
LogP4.72
Rot. Bonds4

About 2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline

2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline (PubChem CID 141191461) has the molecular formula C28H30FN5O and a molecular weight of 471.58 g/mol. Its IUPAC name is 2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline.

Molecular Properties

Compound Name2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline
PubChem CID141191461
Molecular FormulaC28H30FN5O
Molecular Weight471.58 g/mol
Exact Mass471.24
IUPAC Name2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline
SMILESCOc1ccc(N2CCN(C3CCN(c4cccc5ccc(F)nc45)CC3)CC2)c2ncccc12
InChIInChI=1S/C28H30FN5O/c1-35-25-9-8-24(28-22(25)5-3-13-30-28)34-18-16-32(17-19-34)21-11-14-33(15-12-21)23-6-2-4-20-7-10-26(29)31-27(20)23/h2-10,13,21H,11-12,14-19H2,1H3
InChIKeyDXBNCUUXJODAFV-UHFFFAOYSA-N
XLogP4.72
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Primaquine
CID 4908
Quinocide
CID 68928
(+)-Primaquine
CID 3044369
Pamaquine
CID 10290
(-)-Primaquine
CID 3044368
5-Fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)Quinoline
CID 12004142
N1-(6-Methoxy-8-quinolinyl)-N5-(1-methylethyl)-1,5-pentanediamine
CID 21558
SB 714786
CID 10287730
5-Fluoro-4-methoxy-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2-(trifluoromethyl)quinoline
CID 12004141
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2-methylquinoline
CID 12004197
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-3-methylquinoline
CID 12004199
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-4-methylquinoline
CID 12004200

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline?
The IUPAC name of 2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline (CID 141191461) is 2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline.
What is the SMILES notation for 2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline?
The canonical SMILES for 2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline is COc1ccc(N2CCN(C3CCN(c4cccc5ccc(F)nc45)CC3)CC2)c2ncccc12.
What is the InChIKey of 2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline?
The InChIKey is DXBNCUUXJODAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O/c1-35-25-9-8-24(28-22(25)5-3-13-30-28)34-18-16-32(17-19-34)21-11-14-33(15-12-21)23-6-2-4-20-7-10-26(29)31-27(20)23/h2-10,13,21H,11-12,14-19H2,1H3.
What are the key properties of 2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline?
2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline has a molecular weight of 471.58 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline is sourced from PubChem (CID 141191461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).