N-(1H-indazol-4-yl)-6-(4-methylsulfonylphenyl)quinazolin-4-amine

C22H17N5O2S — CID 71610589

IUPACN-(1H-indazol-4-yl)-6-(4-methylsulfonylphenyl)quinazolin-4-amine
SMILESCS(=O)(=O)c1ccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)cc1
InChIInChI=1S/C22H17N5O2S/c1-30(28,29)16-8-5-14(6-9-16)15-7-10-19-17(11-15)22(24-13-23-19)26-20-3-2-4-21-18(20)12-25-27-21/h2-13H,1H3,(H,25,27)(H,23,24,26)
InChIKeyQSCGMEKWMHMVOY-UHFFFAOYSA-N
MW415.48 g/mol
LogP4.32
Rot. Bonds4

About N-(1H-indazol-4-yl)-6-(4-methylsulfonylphenyl)quinazolin-4-amine

N-(1H-indazol-4-yl)-6-(4-methylsulfonylphenyl)quinazolin-4-amine (PubChem CID 71610589) has the molecular formula C22H17N5O2S and a molecular weight of 415.48 g/mol. Its IUPAC name is N-(1H-indazol-4-yl)-6-(4-methylsulfonylphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(1H-indazol-4-yl)-6-(4-methylsulfonylphenyl)quinazolin-4-amine
PubChem CID71610589
Molecular FormulaC22H17N5O2S
Molecular Weight415.48 g/mol
Exact Mass415.11
IUPAC NameN-(1H-indazol-4-yl)-6-(4-methylsulfonylphenyl)quinazolin-4-amine
SMILESCS(=O)(=O)c1ccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)cc1
InChIInChI=1S/C22H17N5O2S/c1-30(28,29)16-8-5-14(6-9-16)15-7-10-19-17(11-15)22(24-13-23-19)26-20-3-2-4-21-18(20)12-25-27-21/h2-13H,1H3,(H,25,27)(H,23,24,26)
InChIKeyQSCGMEKWMHMVOY-UHFFFAOYSA-N
XLogP4.32
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-4-yl)-6-(4-methylsulfonylphenyl)quinazolin-4-amine?
The IUPAC name of N-(1H-indazol-4-yl)-6-(4-methylsulfonylphenyl)quinazolin-4-amine (CID 71610589) is N-(1H-indazol-4-yl)-6-(4-methylsulfonylphenyl)quinazolin-4-amine.
What is the SMILES notation for N-(1H-indazol-4-yl)-6-(4-methylsulfonylphenyl)quinazolin-4-amine?
The canonical SMILES for N-(1H-indazol-4-yl)-6-(4-methylsulfonylphenyl)quinazolin-4-amine is CS(=O)(=O)c1ccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)cc1.
What is the InChIKey of N-(1H-indazol-4-yl)-6-(4-methylsulfonylphenyl)quinazolin-4-amine?
The InChIKey is QSCGMEKWMHMVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2S/c1-30(28,29)16-8-5-14(6-9-16)15-7-10-19-17(11-15)22(24-13-23-19)26-20-3-2-4-21-18(20)12-25-27-21/h2-13H,1H3,(H,25,27)(H,23,24,26).
What are the key properties of N-(1H-indazol-4-yl)-6-(4-methylsulfonylphenyl)quinazolin-4-amine?
N-(1H-indazol-4-yl)-6-(4-methylsulfonylphenyl)quinazolin-4-amine has a molecular weight of 415.48 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-4-yl)-6-(4-methylsulfonylphenyl)quinazolin-4-amine is sourced from PubChem (CID 71610589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).