1H-indazol-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone

C24H18N4O — CID 24905422

IUPAC1H-indazol-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone
SMILESO=C(c1ccccc1NCc1ccc2ncccc2c1)c1n[nH]c2ccccc12
InChIInChI=1S/C24H18N4O/c29-24(23-18-7-1-4-10-22(18)27-28-23)19-8-2-3-9-21(19)26-15-16-11-12-20-17(14-16)6-5-13-25-20/h1-14,26H,15H2,(H,27,28)
InChIKeyHBSXWFBLJONDCO-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.95
Rot. Bonds5

About 1H-indazol-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone

1H-indazol-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone (PubChem CID 24905422) has the molecular formula C24H18N4O and a molecular weight of 378.44 g/mol. Its IUPAC name is 1H-indazol-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone
PubChem CID24905422
Molecular FormulaC24H18N4O
Molecular Weight378.44 g/mol
Exact Mass378.15
IUPAC Name1H-indazol-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone
SMILESO=C(c1ccccc1NCc1ccc2ncccc2c1)c1n[nH]c2ccccc12
InChIInChI=1S/C24H18N4O/c29-24(23-18-7-1-4-10-22(18)27-28-23)19-8-2-3-9-21(19)26-15-16-11-12-20-17(14-16)6-5-13-25-20/h1-14,26H,15H2,(H,27,28)
InChIKeyHBSXWFBLJONDCO-UHFFFAOYSA-N
XLogP4.95
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone?
The IUPAC name of 1H-indazol-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone (CID 24905422) is 1H-indazol-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone is O=C(c1ccccc1NCc1ccc2ncccc2c1)c1n[nH]c2ccccc12.
What is the InChIKey of 1H-indazol-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone?
The InChIKey is HBSXWFBLJONDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O/c29-24(23-18-7-1-4-10-22(18)27-28-23)19-8-2-3-9-21(19)26-15-16-11-12-20-17(14-16)6-5-13-25-20/h1-14,26H,15H2,(H,27,28).
What are the key properties of 1H-indazol-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone?
1H-indazol-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone has a molecular weight of 378.44 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone is sourced from PubChem (CID 24905422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).