2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]benzamide

C22H16N6O — CID 20626260

IUPAC2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]benzamide
SMILESNC(=O)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)c2ccccc2n1
InChIInChI=1S/C22H16N6O/c23-19(29)13-7-1-2-8-14(13)20-24-17-11-5-3-9-15(17)21(25-20)26-22-16-10-4-6-12-18(16)27-28-22/h1-12H,(H2,23,29)(H2,24,25,26,27,28)
InChIKeyFSVREOLJPXRESS-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.02
Rot. Bonds4

About 2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]benzamide

2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]benzamide (PubChem CID 20626260) has the molecular formula C22H16N6O and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]benzamide.

Molecular Properties

Compound Name2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]benzamide
PubChem CID20626260
Molecular FormulaC22H16N6O
Molecular Weight380.41 g/mol
Exact Mass380.14
IUPAC Name2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]benzamide
SMILESNC(=O)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)c2ccccc2n1
InChIInChI=1S/C22H16N6O/c23-19(29)13-7-1-2-8-14(13)20-24-17-11-5-3-9-15(17)21(25-20)26-22-16-10-4-6-12-18(16)27-28-22/h1-12H,(H2,23,29)(H2,24,25,26,27,28)
InChIKeyFSVREOLJPXRESS-UHFFFAOYSA-N
XLogP4.02
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]benzamide?
The IUPAC name of 2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]benzamide (CID 20626260) is 2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]benzamide.
What is the SMILES notation for 2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]benzamide?
The canonical SMILES for 2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]benzamide is NC(=O)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)c2ccccc2n1.
What is the InChIKey of 2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]benzamide?
The InChIKey is FSVREOLJPXRESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O/c23-19(29)13-7-1-2-8-14(13)20-24-17-11-5-3-9-15(17)21(25-20)26-22-16-10-4-6-12-18(16)27-28-22/h1-12H,(H2,23,29)(H2,24,25,26,27,28).
What are the key properties of 2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]benzamide?
2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]benzamide has a molecular weight of 380.41 g/mol, XLogP of 4.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]benzamide is sourced from PubChem (CID 20626260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).