8-[4-(1-fluoro-2-quinolin-8-ylpiperidin-4-yl)piperazin-1-yl]-2-methoxyquinoline

C28H30FN5O — CID 87655074

IUPAC8-[4-(1-fluoro-2-quinolin-8-ylpiperidin-4-yl)piperazin-1-yl]-2-methoxyquinoline
SMILESCOc1ccc2cccc(N3CCN(C4CCN(F)C(c5cccc6cccnc56)C4)CC3)c2n1
InChIInChI=1S/C28H30FN5O/c1-35-26-11-10-21-6-3-9-24(28(21)31-26)33-17-15-32(16-18-33)22-12-14-34(29)25(19-22)23-8-2-5-20-7-4-13-30-27(20)23/h2-11,13,22,25H,12,14-19H2,1H3
InChIKeyNCYHVGYHCPWCPQ-UHFFFAOYSA-N
MW471.58 g/mol
LogP5.00
Rot. Bonds4

About 8-[4-(1-fluoro-2-quinolin-8-ylpiperidin-4-yl)piperazin-1-yl]-2-methoxyquinoline

8-[4-(1-fluoro-2-quinolin-8-ylpiperidin-4-yl)piperazin-1-yl]-2-methoxyquinoline (PubChem CID 87655074) has the molecular formula C28H30FN5O and a molecular weight of 471.58 g/mol. Its IUPAC name is 8-[4-(1-fluoro-2-quinolin-8-ylpiperidin-4-yl)piperazin-1-yl]-2-methoxyquinoline.

Molecular Properties

Compound Name8-[4-(1-fluoro-2-quinolin-8-ylpiperidin-4-yl)piperazin-1-yl]-2-methoxyquinoline
PubChem CID87655074
Molecular FormulaC28H30FN5O
Molecular Weight471.58 g/mol
Exact Mass471.24
IUPAC Name8-[4-(1-fluoro-2-quinolin-8-ylpiperidin-4-yl)piperazin-1-yl]-2-methoxyquinoline
SMILESCOc1ccc2cccc(N3CCN(C4CCN(F)C(c5cccc6cccnc56)C4)CC3)c2n1
InChIInChI=1S/C28H30FN5O/c1-35-26-11-10-21-6-3-9-24(28(21)31-26)33-17-15-32(16-18-33)22-12-14-34(29)25(19-22)23-8-2-5-20-7-4-13-30-27(20)23/h2-11,13,22,25H,12,14-19H2,1H3
InChIKeyNCYHVGYHCPWCPQ-UHFFFAOYSA-N
XLogP5.00
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.58
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-[4-(1-fluoro-2-quinolin-8-ylpiperidin-4-yl)piperazin-1-yl]-2-methoxyquinoline with MolForge

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Related Compounds

2-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline;hydrochloride
CID 141191292
2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline
CID 141191461
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166
8-[4-[4-(5-fluoro-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]quinoline
CID 10181879
6-methoxy-8-[4-[1-(5-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline
CID 59827333
1-quinolin-8-ylpiperidin-4-amine
CID 81224219
8-(1-hydroxypiperidin-2-yl)quinoline
CID 54346062
8-[4-(1,1-dihydroxythian-4-yl)piperazin-1-yl]-2-methylquinoline
CID 68873861
(4-methoxyphenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone
CID 113079735
1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine
CID 782078
6-chloro-8-[4-(4-chloro-2-quinolin-8-ylpiperidin-1-yl)piperazin-1-yl]quinoline
CID 68697717
8-cyclopropylquinoline
CID 66823369

Frequently Asked Questions

What is the IUPAC name of 8-[4-(1-fluoro-2-quinolin-8-ylpiperidin-4-yl)piperazin-1-yl]-2-methoxyquinoline?
The IUPAC name of 8-[4-(1-fluoro-2-quinolin-8-ylpiperidin-4-yl)piperazin-1-yl]-2-methoxyquinoline (CID 87655074) is 8-[4-(1-fluoro-2-quinolin-8-ylpiperidin-4-yl)piperazin-1-yl]-2-methoxyquinoline.
What is the SMILES notation for 8-[4-(1-fluoro-2-quinolin-8-ylpiperidin-4-yl)piperazin-1-yl]-2-methoxyquinoline?
The canonical SMILES for 8-[4-(1-fluoro-2-quinolin-8-ylpiperidin-4-yl)piperazin-1-yl]-2-methoxyquinoline is COc1ccc2cccc(N3CCN(C4CCN(F)C(c5cccc6cccnc56)C4)CC3)c2n1.
What is the InChIKey of 8-[4-(1-fluoro-2-quinolin-8-ylpiperidin-4-yl)piperazin-1-yl]-2-methoxyquinoline?
The InChIKey is NCYHVGYHCPWCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O/c1-35-26-11-10-21-6-3-9-24(28(21)31-26)33-17-15-32(16-18-33)22-12-14-34(29)25(19-22)23-8-2-5-20-7-4-13-30-27(20)23/h2-11,13,22,25H,12,14-19H2,1H3.
What are the key properties of 8-[4-(1-fluoro-2-quinolin-8-ylpiperidin-4-yl)piperazin-1-yl]-2-methoxyquinoline?
8-[4-(1-fluoro-2-quinolin-8-ylpiperidin-4-yl)piperazin-1-yl]-2-methoxyquinoline has a molecular weight of 471.58 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(1-fluoro-2-quinolin-8-ylpiperidin-4-yl)piperazin-1-yl]-2-methoxyquinoline is sourced from PubChem (CID 87655074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).