N-(2-benzylindazol-5-yl)quinazolin-4-amine

C22H17N5 — CID 101111695

IUPACN-(2-benzylindazol-5-yl)quinazolin-4-amine
SMILESc1ccc(Cn2cc3cc(Nc4ncnc5ccccc45)ccc3n2)cc1
InChIInChI=1S/C22H17N5/c1-2-6-16(7-3-1)13-27-14-17-12-18(10-11-20(17)26-27)25-22-19-8-4-5-9-21(19)23-15-24-22/h1-12,14-15H,13H2,(H,23,24,25)
InChIKeyPBECLATVFBKILE-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.77
Rot. Bonds4

About N-(2-benzylindazol-5-yl)quinazolin-4-amine

N-(2-benzylindazol-5-yl)quinazolin-4-amine (PubChem CID 101111695) has the molecular formula C22H17N5 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2-benzylindazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(2-benzylindazol-5-yl)quinazolin-4-amine
PubChem CID101111695
Molecular FormulaC22H17N5
Molecular Weight351.41 g/mol
Exact Mass351.15
IUPAC NameN-(2-benzylindazol-5-yl)quinazolin-4-amine
SMILESc1ccc(Cn2cc3cc(Nc4ncnc5ccccc45)ccc3n2)cc1
InChIInChI=1S/C22H17N5/c1-2-6-16(7-3-1)13-27-14-17-12-18(10-11-20(17)26-27)25-22-19-8-4-5-9-21(19)23-15-24-22/h1-12,14-15H,13H2,(H,23,24,25)
InChIKeyPBECLATVFBKILE-UHFFFAOYSA-N
XLogP4.77
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzylindazol-5-yl)quinazolin-4-amine?
The IUPAC name of N-(2-benzylindazol-5-yl)quinazolin-4-amine (CID 101111695) is N-(2-benzylindazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for N-(2-benzylindazol-5-yl)quinazolin-4-amine?
The canonical SMILES for N-(2-benzylindazol-5-yl)quinazolin-4-amine is c1ccc(Cn2cc3cc(Nc4ncnc5ccccc45)ccc3n2)cc1.
What is the InChIKey of N-(2-benzylindazol-5-yl)quinazolin-4-amine?
The InChIKey is PBECLATVFBKILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5/c1-2-6-16(7-3-1)13-27-14-17-12-18(10-11-20(17)26-27)25-22-19-8-4-5-9-21(19)23-15-24-22/h1-12,14-15H,13H2,(H,23,24,25).
What are the key properties of N-(2-benzylindazol-5-yl)quinazolin-4-amine?
N-(2-benzylindazol-5-yl)quinazolin-4-amine has a molecular weight of 351.41 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylindazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 101111695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).