2-[6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperidine-1-carbaldehyde

C26H22ClFN4O — CID 118412808

IUPAC2-[6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(c2ccc(F)cc2)CC1c1cnc(Cl)cc1Nc1ccc2ncccc2c1
InChIInChI=1S/C26H22ClFN4O/c27-26-14-24(31-21-7-8-23-19(12-21)2-1-10-29-23)22(15-30-26)25-13-18(9-11-32(25)16-33)17-3-5-20(28)6-4-17/h1-8,10,12,14-16,18,25H,9,11,13H2,(H,30,31)
InChIKeySVIBSXRKBYEUHC-UHFFFAOYSA-N
MW460.94 g/mol
LogP6.24
Rot. Bonds5

About 2-[6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperidine-1-carbaldehyde

2-[6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperidine-1-carbaldehyde (PubChem CID 118412808) has the molecular formula C26H22ClFN4O and a molecular weight of 460.94 g/mol. Its IUPAC name is 2-[6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name2-[6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperidine-1-carbaldehyde
PubChem CID118412808
Molecular FormulaC26H22ClFN4O
Molecular Weight460.94 g/mol
Exact Mass460.15
IUPAC Name2-[6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(c2ccc(F)cc2)CC1c1cnc(Cl)cc1Nc1ccc2ncccc2c1
InChIInChI=1S/C26H22ClFN4O/c27-26-14-24(31-21-7-8-23-19(12-21)2-1-10-29-23)22(15-30-26)25-13-18(9-11-32(25)16-33)17-3-5-20(28)6-4-17/h1-8,10,12,14-16,18,25H,9,11,13H2,(H,30,31)
InChIKeySVIBSXRKBYEUHC-UHFFFAOYSA-N
XLogP6.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.94
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperidine-1-carbaldehyde?
The IUPAC name of 2-[6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperidine-1-carbaldehyde (CID 118412808) is 2-[6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperidine-1-carbaldehyde.
What is the SMILES notation for 2-[6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperidine-1-carbaldehyde?
The canonical SMILES for 2-[6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperidine-1-carbaldehyde is O=CN1CCC(c2ccc(F)cc2)CC1c1cnc(Cl)cc1Nc1ccc2ncccc2c1.
What is the InChIKey of 2-[6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperidine-1-carbaldehyde?
The InChIKey is SVIBSXRKBYEUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN4O/c27-26-14-24(31-21-7-8-23-19(12-21)2-1-10-29-23)22(15-30-26)25-13-18(9-11-32(25)16-33)17-3-5-20(28)6-4-17/h1-8,10,12,14-16,18,25H,9,11,13H2,(H,30,31).
What are the key properties of 2-[6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperidine-1-carbaldehyde?
2-[6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperidine-1-carbaldehyde has a molecular weight of 460.94 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperidine-1-carbaldehyde is sourced from PubChem (CID 118412808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).