2-(1,3-dihydro-2-benzofuran-4-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine

C23H17N5O — CID 20626222

IUPAC2-(1,3-dihydro-2-benzofuran-4-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine
SMILESc1cc2c(c(-c3nc(Nc4n[nH]c5ccccc45)c4ccccc4n3)c1)COC2
InChIInChI=1S/C23H17N5O/c1-3-10-19-16(7-1)22(26-23-17-8-2-4-11-20(17)27-28-23)25-21(24-19)15-9-5-6-14-12-29-13-18(14)15/h1-11H,12-13H2,(H2,24,25,26,27,28)
InChIKeyHIFAJUUWQSSCHM-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.95
Rot. Bonds3

About 2-(1,3-dihydro-2-benzofuran-4-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine

2-(1,3-dihydro-2-benzofuran-4-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine (PubChem CID 20626222) has the molecular formula C23H17N5O and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-(1,3-dihydro-2-benzofuran-4-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(1,3-dihydro-2-benzofuran-4-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine
PubChem CID20626222
Molecular FormulaC23H17N5O
Molecular Weight379.42 g/mol
Exact Mass379.14
IUPAC Name2-(1,3-dihydro-2-benzofuran-4-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine
SMILESc1cc2c(c(-c3nc(Nc4n[nH]c5ccccc45)c4ccccc4n3)c1)COC2
InChIInChI=1S/C23H17N5O/c1-3-10-19-16(7-1)22(26-23-17-8-2-4-11-20(17)27-28-23)25-21(24-19)15-9-5-6-14-12-29-13-18(14)15/h1-11H,12-13H2,(H2,24,25,26,27,28)
InChIKeyHIFAJUUWQSSCHM-UHFFFAOYSA-N
XLogP4.95
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydro-2-benzofuran-4-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine?
The IUPAC name of 2-(1,3-dihydro-2-benzofuran-4-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine (CID 20626222) is 2-(1,3-dihydro-2-benzofuran-4-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(1,3-dihydro-2-benzofuran-4-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 2-(1,3-dihydro-2-benzofuran-4-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine is c1cc2c(c(-c3nc(Nc4n[nH]c5ccccc45)c4ccccc4n3)c1)COC2.
What is the InChIKey of 2-(1,3-dihydro-2-benzofuran-4-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine?
The InChIKey is HIFAJUUWQSSCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O/c1-3-10-19-16(7-1)22(26-23-17-8-2-4-11-20(17)27-28-23)25-21(24-19)15-9-5-6-14-12-29-13-18(14)15/h1-11H,12-13H2,(H2,24,25,26,27,28).
What are the key properties of 2-(1,3-dihydro-2-benzofuran-4-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine?
2-(1,3-dihydro-2-benzofuran-4-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine has a molecular weight of 379.42 g/mol, XLogP of 4.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydro-2-benzofuran-4-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 20626222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).