[2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2,3-dihydroindol-1-yl)methanone

C26H24N4O — CID 86297434

IUPAC[2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESNC1=Nc2cc(C(=O)N3CCc4ccccc43)ccc2CN1C1Cc2ccccc2C1
InChIInChI=1S/C26H24N4O/c27-26-28-23-15-20(25(31)29-12-11-17-5-3-4-8-24(17)29)9-10-21(23)16-30(26)22-13-18-6-1-2-7-19(18)14-22/h1-10,15,22H,11-14,16H2,(H2,27,28)
InChIKeyUBXHUDTVWYZSSJ-UHFFFAOYSA-N
MW408.51 g/mol
LogP3.82
Rot. Bonds2

About [2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2,3-dihydroindol-1-yl)methanone

[2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 86297434) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is [2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID86297434
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name[2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESNC1=Nc2cc(C(=O)N3CCc4ccccc43)ccc2CN1C1Cc2ccccc2C1
InChIInChI=1S/C26H24N4O/c27-26-28-23-15-20(25(31)29-12-11-17-5-3-4-8-24(17)29)9-10-21(23)16-30(26)22-13-18-6-1-2-7-19(18)14-22/h1-10,15,22H,11-14,16H2,(H2,27,28)
InChIKeyUBXHUDTVWYZSSJ-UHFFFAOYSA-N
XLogP3.82
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2,3-dihydroindol-1-yl)methanone (CID 86297434) is [2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2,3-dihydroindol-1-yl)methanone is NC1=Nc2cc(C(=O)N3CCc4ccccc43)ccc2CN1C1Cc2ccccc2C1.
What is the InChIKey of [2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is UBXHUDTVWYZSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O/c27-26-28-23-15-20(25(31)29-12-11-17-5-3-4-8-24(17)29)9-10-21(23)16-30(26)22-13-18-6-1-2-7-19(18)14-22/h1-10,15,22H,11-14,16H2,(H2,27,28).
What are the key properties of [2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2,3-dihydroindol-1-yl)methanone?
[2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 408.51 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 86297434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).