3-[4-(1H-indazol-4-ylamino)quinolin-6-yl]benzamide

C23H17N5O — CID 86766651

IUPAC3-[4-(1H-indazol-4-ylamino)quinolin-6-yl]benzamide
SMILESNC(=O)c1cccc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)c1
InChIInChI=1S/C23H17N5O/c24-23(29)16-4-1-3-14(11-16)15-7-8-19-17(12-15)21(9-10-25-19)27-20-5-2-6-22-18(20)13-26-28-22/h1-13H,(H2,24,29)(H,25,27)(H,26,28)
InChIKeyUVCHZQRHHYMSJH-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.62
Rot. Bonds4

About 3-[4-(1H-indazol-4-ylamino)quinolin-6-yl]benzamide

3-[4-(1H-indazol-4-ylamino)quinolin-6-yl]benzamide (PubChem CID 86766651) has the molecular formula C23H17N5O and a molecular weight of 379.42 g/mol. Its IUPAC name is 3-[4-(1H-indazol-4-ylamino)quinolin-6-yl]benzamide.

Molecular Properties

Compound Name3-[4-(1H-indazol-4-ylamino)quinolin-6-yl]benzamide
PubChem CID86766651
Molecular FormulaC23H17N5O
Molecular Weight379.42 g/mol
Exact Mass379.14
IUPAC Name3-[4-(1H-indazol-4-ylamino)quinolin-6-yl]benzamide
SMILESNC(=O)c1cccc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)c1
InChIInChI=1S/C23H17N5O/c24-23(29)16-4-1-3-14(11-16)15-7-8-19-17(12-15)21(9-10-25-19)27-20-5-2-6-22-18(20)13-26-28-22/h1-13H,(H2,24,29)(H,25,27)(H,26,28)
InChIKeyUVCHZQRHHYMSJH-UHFFFAOYSA-N
XLogP4.62
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[4-(1H-indazol-4-ylamino)quinolin-6-yl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-indazol-4-ylamino)quinolin-6-yl]benzamide?
The IUPAC name of 3-[4-(1H-indazol-4-ylamino)quinolin-6-yl]benzamide (CID 86766651) is 3-[4-(1H-indazol-4-ylamino)quinolin-6-yl]benzamide.
What is the SMILES notation for 3-[4-(1H-indazol-4-ylamino)quinolin-6-yl]benzamide?
The canonical SMILES for 3-[4-(1H-indazol-4-ylamino)quinolin-6-yl]benzamide is NC(=O)c1cccc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)c1.
What is the InChIKey of 3-[4-(1H-indazol-4-ylamino)quinolin-6-yl]benzamide?
The InChIKey is UVCHZQRHHYMSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O/c24-23(29)16-4-1-3-14(11-16)15-7-8-19-17(12-15)21(9-10-25-19)27-20-5-2-6-22-18(20)13-26-28-22/h1-13H,(H2,24,29)(H,25,27)(H,26,28).
What are the key properties of 3-[4-(1H-indazol-4-ylamino)quinolin-6-yl]benzamide?
3-[4-(1H-indazol-4-ylamino)quinolin-6-yl]benzamide has a molecular weight of 379.42 g/mol, XLogP of 4.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-indazol-4-ylamino)quinolin-6-yl]benzamide is sourced from PubChem (CID 86766651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).