[6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone

C26H22ClFN4O — CID 118412572

IUPAC[6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
SMILESO=C(c1cnc(Cl)cc1Nc1ccc2ncccc2c1)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C26H22ClFN4O/c27-25-15-24(31-21-7-8-23-19(14-21)2-1-11-29-23)22(16-30-25)26(33)32-12-9-18(10-13-32)17-3-5-20(28)6-4-17/h1-8,11,14-16,18H,9-10,12-13H2,(H,30,31)
InChIKeyGEBQOPBKMQOJIF-UHFFFAOYSA-N
MW460.94 g/mol
LogP6.19
Rot. Bonds4

About [6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone

[6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone (PubChem CID 118412572) has the molecular formula C26H22ClFN4O and a molecular weight of 460.94 g/mol. Its IUPAC name is [6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
PubChem CID118412572
Molecular FormulaC26H22ClFN4O
Molecular Weight460.94 g/mol
Exact Mass460.15
IUPAC Name[6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
SMILESO=C(c1cnc(Cl)cc1Nc1ccc2ncccc2c1)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C26H22ClFN4O/c27-25-15-24(31-21-7-8-23-19(14-21)2-1-11-29-23)22(16-30-25)26(33)32-12-9-18(10-13-32)17-3-5-20(28)6-4-17/h1-8,11,14-16,18H,9-10,12-13H2,(H,30,31)
InChIKeyGEBQOPBKMQOJIF-UHFFFAOYSA-N
XLogP6.19
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.94
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

4-Chloro-N-((R)-1-(cis-4-(6-fluoroquinolin-4-yl)cyclohexyl)ethyl)benzamide
CID 121318866
2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 53492821
2-phenyl-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 53494400
Quinolinium, 7-chloro-1-methyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, dibromide
CID 206454
N-{2-[(3-Chlorophenyl)amino]-4-methylquinolin-6-YL}pyridine-3-carboxamide
CID 16021397
N-(1-benzylpiperidin-4-yl)-6-chloro-2-(pyridin-3-yl)quinoline-4-carboxamide
CID 17373844
N-(1-benzylpiperidin-4-yl)-6-chloro-2-(pyridin-4-yl)quinoline-4-carboxamide
CID 17375211
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-6-fluoroquinoline-3-carboxamide
CID 122183767
2-chloro-N-[(2-methylquinolin-4-yl)methyl]pyridine-3-carboxamide
CID 1504631
2-chloro-N-[4-methyl-2-(4-methylpiperazino)-6-quinolyl]nicotinamide
CID 9550657
(E)-4-Dimethylamino-but-2-enoic acid [4-(3-chloro-4-fluoro-phenylamino)-3-cyano-quinolin-6-yl]-amide
CID 9954075
Quinoline-8-carboxylic acid [1''-(3,4-dichloro-benzyl)-[1,4'']bipiperidinyl-3-ylmethyl]-amide
CID 11540776

Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
The IUPAC name of [6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone (CID 118412572) is [6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone is O=C(c1cnc(Cl)cc1Nc1ccc2ncccc2c1)N1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of [6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
The InChIKey is GEBQOPBKMQOJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN4O/c27-25-15-24(31-21-7-8-23-19(14-21)2-1-11-29-23)22(16-30-25)26(33)32-12-9-18(10-13-32)17-3-5-20(28)6-4-17/h1-8,11,14-16,18H,9-10,12-13H2,(H,30,31).
What are the key properties of [6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
[6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone has a molecular weight of 460.94 g/mol, XLogP of 6.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 118412572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).