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

C22H16N6O — CID 71610848

IUPAC3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]benzamide
SMILESNC(=O)c1cccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)c1
InChIInChI=1S/C22H16N6O/c23-21(29)15-4-1-3-13(9-15)14-7-8-18-16(10-14)22(25-12-24-18)27-19-5-2-6-20-17(19)11-26-28-20/h1-12H,(H2,23,29)(H,26,28)(H,24,25,27)
InChIKeyMLIUWSBFWSVRQG-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.02
Rot. Bonds4

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

3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]benzamide (PubChem CID 71610848) has the molecular formula C22H16N6O and a molecular weight of 380.41 g/mol. Its IUPAC name is 3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]benzamide.

Molecular Properties

Compound Name3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]benzamide
PubChem CID71610848
Molecular FormulaC22H16N6O
Molecular Weight380.41 g/mol
Exact Mass380.14
IUPAC Name3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]benzamide
SMILESNC(=O)c1cccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)c1
InChIInChI=1S/C22H16N6O/c23-21(29)15-4-1-3-13(9-15)14-7-8-18-16(10-14)22(25-12-24-18)27-19-5-2-6-20-17(19)11-26-28-20/h1-12H,(H2,23,29)(H,26,28)(H,24,25,27)
InChIKeyMLIUWSBFWSVRQG-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 3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]benzamide?
The IUPAC name of 3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]benzamide (CID 71610848) is 3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]benzamide.
What is the SMILES notation for 3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]benzamide?
The canonical SMILES for 3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]benzamide is NC(=O)c1cccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)c1.
What is the InChIKey of 3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]benzamide?
The InChIKey is MLIUWSBFWSVRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O/c23-21(29)15-4-1-3-13(9-15)14-7-8-18-16(10-14)22(25-12-24-18)27-19-5-2-6-20-17(19)11-26-28-20/h1-12H,(H2,23,29)(H,26,28)(H,24,25,27).
What are the key properties of 3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]benzamide?
3-[4-(1H-indazol-4-ylamino)quinazolin-6-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 3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]benzamide is sourced from PubChem (CID 71610848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).