6-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]-1H-indole-2-carbaldehyde

C24H16N6O — CID 166920660

IUPAC6-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]-1H-indole-2-carbaldehyde
SMILESO=Cc1cc2ccc(-c3nc(Nc4ccc5[nH]ncc5c4)c4ccccc4n3)cc2[nH]1
InChIInChI=1S/C24H16N6O/c31-13-18-9-14-5-6-15(11-22(14)26-18)23-28-21-4-2-1-3-19(21)24(29-23)27-17-7-8-20-16(10-17)12-25-30-20/h1-13,26H,(H,25,30)(H,27,28,29)
InChIKeyPJEWDIHATFBCOZ-UHFFFAOYSA-N
MW404.43 g/mol
LogP5.21
Rot. Bonds4

About 6-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]-1H-indole-2-carbaldehyde

6-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]-1H-indole-2-carbaldehyde (PubChem CID 166920660) has the molecular formula C24H16N6O and a molecular weight of 404.43 g/mol. Its IUPAC name is 6-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]-1H-indole-2-carbaldehyde.

Molecular Properties

Compound Name6-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]-1H-indole-2-carbaldehyde
PubChem CID166920660
Molecular FormulaC24H16N6O
Molecular Weight404.43 g/mol
Exact Mass404.14
IUPAC Name6-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]-1H-indole-2-carbaldehyde
SMILESO=Cc1cc2ccc(-c3nc(Nc4ccc5[nH]ncc5c4)c4ccccc4n3)cc2[nH]1
InChIInChI=1S/C24H16N6O/c31-13-18-9-14-5-6-15(11-22(14)26-18)23-28-21-4-2-1-3-19(21)24(29-23)27-17-7-8-20-16(10-17)12-25-30-20/h1-13,26H,(H,25,30)(H,27,28,29)
InChIKeyPJEWDIHATFBCOZ-UHFFFAOYSA-N
XLogP5.21
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.43
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]-1H-indole-2-carbaldehyde?
The IUPAC name of 6-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]-1H-indole-2-carbaldehyde (CID 166920660) is 6-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]-1H-indole-2-carbaldehyde.
What is the SMILES notation for 6-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]-1H-indole-2-carbaldehyde?
The canonical SMILES for 6-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]-1H-indole-2-carbaldehyde is O=Cc1cc2ccc(-c3nc(Nc4ccc5[nH]ncc5c4)c4ccccc4n3)cc2[nH]1.
What is the InChIKey of 6-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]-1H-indole-2-carbaldehyde?
The InChIKey is PJEWDIHATFBCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N6O/c31-13-18-9-14-5-6-15(11-22(14)26-18)23-28-21-4-2-1-3-19(21)24(29-23)27-17-7-8-20-16(10-17)12-25-30-20/h1-13,26H,(H,25,30)(H,27,28,29).
What are the key properties of 6-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]-1H-indole-2-carbaldehyde?
6-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]-1H-indole-2-carbaldehyde has a molecular weight of 404.43 g/mol, XLogP of 5.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]-1H-indole-2-carbaldehyde is sourced from PubChem (CID 166920660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).