7-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-methoxyquinolin-6-yl]oxy-N-hydroxyheptanamide

C24H24ClFN4O4 — CID 85471342

IUPAC7-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-methoxyquinolin-6-yl]oxy-N-hydroxyheptanamide
SMILESCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCCC(=O)NO
InChIInChI=1S/C24H24ClFN4O4/c1-33-21-12-20-17(11-22(21)34-9-5-3-2-4-6-23(31)30-32)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h7-8,10-12,14,32H,2-6,9H2,1H3,(H,28,29)(H,30,31)
InChIKeyPZLGDCVJDILKLD-UHFFFAOYSA-N
MW486.93 g/mol
LogP5.49
Rot. Bonds11

About 7-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-methoxyquinolin-6-yl]oxy-N-hydroxyheptanamide

7-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-methoxyquinolin-6-yl]oxy-N-hydroxyheptanamide (PubChem CID 85471342) has the molecular formula C24H24ClFN4O4 and a molecular weight of 486.93 g/mol. Its IUPAC name is 7-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-methoxyquinolin-6-yl]oxy-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-methoxyquinolin-6-yl]oxy-N-hydroxyheptanamide
PubChem CID85471342
Molecular FormulaC24H24ClFN4O4
Molecular Weight486.93 g/mol
Exact Mass486.15
IUPAC Name7-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-methoxyquinolin-6-yl]oxy-N-hydroxyheptanamide
SMILESCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCCC(=O)NO
InChIInChI=1S/C24H24ClFN4O4/c1-33-21-12-20-17(11-22(21)34-9-5-3-2-4-6-23(31)30-32)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h7-8,10-12,14,32H,2-6,9H2,1H3,(H,28,29)(H,30,31)
InChIKeyPZLGDCVJDILKLD-UHFFFAOYSA-N
XLogP5.49
TPSA116.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.93
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-chloro-4-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055597
7-[4-(3-chloro-4-fluoroanilino)-6-methoxyquinazolin-7-yl]oxy-1-hydroxyheptan-2-one
CID 58172592
4-(4-fluoroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328846
N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-2-(dimethylamino)but-2-enamide
CID 141032657
7-(2-chloroethoxy)-4-(3-hydroxy-4-methylanilino)-6-methoxyquinoline-3-carbonitrile
CID 22466649
9-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-N-hydroxy-8-oxononanamide
CID 58172578
4-[4-(3-fluorophenoxy)-3-methoxyanilino]-6,7-bis(2-methoxyethoxy)quinoline-3-carbonitrile
CID 69053180
N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-methoxyquinolin-6-yl]-4-(5-methyl-1,3-thiazol-3-ium-3-yl)but-2-enamide bromide
CID 67203295
4-(3-chloro-4-fluoroanilino)-6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinoline-3-carboxamide
CID 44571099
7-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-1-(oxiran-2-yl)heptan-1-one
CID 42597705
6-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]sulfanyl-N-hydroxyhexanamide
CID 24944764
4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxysulfanyl-N-hydroxybutanamide
CID 143645931

Frequently Asked Questions

What is the IUPAC name of 7-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-methoxyquinolin-6-yl]oxy-N-hydroxyheptanamide?
The IUPAC name of 7-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-methoxyquinolin-6-yl]oxy-N-hydroxyheptanamide (CID 85471342) is 7-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-methoxyquinolin-6-yl]oxy-N-hydroxyheptanamide.
What is the SMILES notation for 7-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-methoxyquinolin-6-yl]oxy-N-hydroxyheptanamide?
The canonical SMILES for 7-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-methoxyquinolin-6-yl]oxy-N-hydroxyheptanamide is COc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCCC(=O)NO.
What is the InChIKey of 7-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-methoxyquinolin-6-yl]oxy-N-hydroxyheptanamide?
The InChIKey is PZLGDCVJDILKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O4/c1-33-21-12-20-17(11-22(21)34-9-5-3-2-4-6-23(31)30-32)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h7-8,10-12,14,32H,2-6,9H2,1H3,(H,28,29)(H,30,31).
What are the key properties of 7-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-methoxyquinolin-6-yl]oxy-N-hydroxyheptanamide?
7-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-methoxyquinolin-6-yl]oxy-N-hydroxyheptanamide has a molecular weight of 486.93 g/mol, XLogP of 5.49, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-methoxyquinolin-6-yl]oxy-N-hydroxyheptanamide is sourced from PubChem (CID 85471342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).