N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-4-yloxyquinolin-4-amine

C21H20Cl2FN3O2 — CID 155669681

IUPACN-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-4-yloxyquinolin-4-amine
SMILESCOc1cc2nccc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC1CCNCC1
InChIInChI=1S/C21H20Cl2FN3O2/c1-28-18-11-17-13(10-19(18)29-12-4-7-25-8-5-12)15(6-9-26-17)27-16-3-2-14(22)20(23)21(16)24/h2-3,6,9-12,25H,4-5,7-8H2,1H3,(H,26,27)
InChIKeyJGHPIWCTIOAVEM-UHFFFAOYSA-N
MW436.31 g/mol
LogP5.56
Rot. Bonds5

About N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-4-yloxyquinolin-4-amine

N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-4-yloxyquinolin-4-amine (PubChem CID 155669681) has the molecular formula C21H20Cl2FN3O2 and a molecular weight of 436.31 g/mol. Its IUPAC name is N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-4-yloxyquinolin-4-amine.

Molecular Properties

Compound NameN-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-4-yloxyquinolin-4-amine
PubChem CID155669681
Molecular FormulaC21H20Cl2FN3O2
Molecular Weight436.31 g/mol
Exact Mass435.09
IUPAC NameN-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-4-yloxyquinolin-4-amine
SMILESCOc1cc2nccc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC1CCNCC1
InChIInChI=1S/C21H20Cl2FN3O2/c1-28-18-11-17-13(10-19(18)29-12-4-7-25-8-5-12)15(6-9-26-17)27-16-3-2-14(22)20(23)21(16)24/h2-3,6,9-12,25H,4-5,7-8H2,1H3,(H,26,27)
InChIKeyJGHPIWCTIOAVEM-UHFFFAOYSA-N
XLogP5.56
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.31
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-4-yloxyquinolin-4-amine with MolForge

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Related Compounds

tert-butyl 4-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinolin-6-yl]oxypiperidine-1-carboxylate
CID 155669689
N-(3,4-dichloro-2-fluorophenyl)-7-(difluoromethoxy)-6-piperidin-4-yloxyquinazolin-4-amine
CID 155669690
N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-3-yloxyquinazolin-4-amine;hydrochloride
CID 167487925
6-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yloxy)-N-(3,4-dichloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 167424492
6-(azetidin-3-yloxy)-N-(3,4-dichloro-2-fluorophenyl)-3-isocyano-7-methoxyquinolin-4-amine
CID 155636899
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-piperidin-4-yloxyquinazolin-4-amine;hydrochloride
CID 68906665
4-(3,4-dichloro-2-fluoroanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)oxyquinoline-3-carbonitrile
CID 139443770
N-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine
CID 53264749
(E)-3-chloro-1-[4-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 25124396
sodium 1-[4-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 54767761
N-(3-chloro-2,5-difluorophenyl)-7-methoxy-6-[(3S)-pyrrolidin-3-yl]oxyquinazolin-4-amine
CID 68750156
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine
CID 24999709

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-4-yloxyquinolin-4-amine?
The IUPAC name of N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-4-yloxyquinolin-4-amine (CID 155669681) is N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-4-yloxyquinolin-4-amine.
What is the SMILES notation for N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-4-yloxyquinolin-4-amine?
The canonical SMILES for N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-4-yloxyquinolin-4-amine is COc1cc2nccc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC1CCNCC1.
What is the InChIKey of N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-4-yloxyquinolin-4-amine?
The InChIKey is JGHPIWCTIOAVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2FN3O2/c1-28-18-11-17-13(10-19(18)29-12-4-7-25-8-5-12)15(6-9-26-17)27-16-3-2-14(22)20(23)21(16)24/h2-3,6,9-12,25H,4-5,7-8H2,1H3,(H,26,27).
What are the key properties of N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-4-yloxyquinolin-4-amine?
N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-4-yloxyquinolin-4-amine has a molecular weight of 436.31 g/mol, XLogP of 5.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-4-yloxyquinolin-4-amine is sourced from PubChem (CID 155669681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).