N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide

C25H17FN4O2 — CID 135758877

IUPACN-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)/N=N/c3c(O)[nH]c4ccc(F)cc34)c3ccccc3n2)cc1
InChIInChI=1S/C25H17FN4O2/c1-14-6-8-15(9-7-14)22-13-18(17-4-2-3-5-20(17)27-22)24(31)30-29-23-19-12-16(26)10-11-21(19)28-25(23)32/h2-13,28,32H,1H3/b30-29+
InChIKeyHCESBKVKKUHEFD-QVIHXGFCSA-N
MW424.44 g/mol
LogP6.46
Rot. Bonds3

About N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide

N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide (PubChem CID 135758877) has the molecular formula C25H17FN4O2 and a molecular weight of 424.44 g/mol. Its IUPAC name is N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide
PubChem CID135758877
Molecular FormulaC25H17FN4O2
Molecular Weight424.44 g/mol
Exact Mass424.13
IUPAC NameN-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)/N=N/c3c(O)[nH]c4ccc(F)cc34)c3ccccc3n2)cc1
InChIInChI=1S/C25H17FN4O2/c1-14-6-8-15(9-7-14)22-13-18(17-4-2-3-5-20(17)27-22)24(31)30-29-23-19-12-16(26)10-11-21(19)28-25(23)32/h2-13,28,32H,1H3/b30-29+
InChIKeyHCESBKVKKUHEFD-QVIHXGFCSA-N
XLogP6.46
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.44
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 135758933
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-phenylquinoline-4-carboxamide
CID 135755055
2-(4-fluorophenyl)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]quinoline-4-carboxamide
CID 135758928
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromophenyl)-6-methylquinoline-4-carboxamide
CID 3347736
2-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-4-carboxamide
CID 878835
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide
CID 1373160
2-N,4-N-bis[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3,5-dimethyl-1H-pyrrole-2,4-dicarboxamide
CID 137226369
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-[(4-methylbenzoyl)amino]benzamide
CID 136961535
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 135758945
4-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 5156367
2-(4-fluorophenyl)-N,N-di(propan-2-yl)quinoline-4-carboxamide
CID 55530881
N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-2-carboxamide
CID 821634

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide (CID 135758877) is N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)/N=N/c3c(O)[nH]c4ccc(F)cc34)c3ccccc3n2)cc1.
What is the InChIKey of N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide?
The InChIKey is HCESBKVKKUHEFD-QVIHXGFCSA-N. The full InChI is InChI=1S/C25H17FN4O2/c1-14-6-8-15(9-7-14)22-13-18(17-4-2-3-5-20(17)27-22)24(31)30-29-23-19-12-16(26)10-11-21(19)28-25(23)32/h2-13,28,32H,1H3/b30-29+.
What are the key properties of N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide?
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide has a molecular weight of 424.44 g/mol, XLogP of 6.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 135758877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).