2-[4-(dimethylamino)phenyl]-N-(1H-indazol-5-yl)quinazolin-4-amine

C23H20N6 — CID 10156619

IUPAC2-[4-(dimethylamino)phenyl]-N-(1H-indazol-5-yl)quinazolin-4-amine
SMILESCN(C)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)cc1
InChIInChI=1S/C23H20N6/c1-29(2)18-10-7-15(8-11-18)22-26-21-6-4-3-5-19(21)23(27-22)25-17-9-12-20-16(13-17)14-24-28-20/h3-14H,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyUEKDDZXVMFYRBX-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.98
Rot. Bonds4

About 2-[4-(dimethylamino)phenyl]-N-(1H-indazol-5-yl)quinazolin-4-amine

2-[4-(dimethylamino)phenyl]-N-(1H-indazol-5-yl)quinazolin-4-amine (PubChem CID 10156619) has the molecular formula C23H20N6 and a molecular weight of 380.46 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-N-(1H-indazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-N-(1H-indazol-5-yl)quinazolin-4-amine
PubChem CID10156619
Molecular FormulaC23H20N6
Molecular Weight380.46 g/mol
Exact Mass380.17
IUPAC Name2-[4-(dimethylamino)phenyl]-N-(1H-indazol-5-yl)quinazolin-4-amine
SMILESCN(C)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)cc1
InChIInChI=1S/C23H20N6/c1-29(2)18-10-7-15(8-11-18)22-26-21-6-4-3-5-19(21)23(27-22)25-17-9-12-20-16(13-17)14-24-28-20/h3-14H,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyUEKDDZXVMFYRBX-UHFFFAOYSA-N
XLogP4.98
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-N-(1H-indazol-5-yl)quinazolin-4-amine?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-N-(1H-indazol-5-yl)quinazolin-4-amine (CID 10156619) is 2-[4-(dimethylamino)phenyl]-N-(1H-indazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-N-(1H-indazol-5-yl)quinazolin-4-amine?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-N-(1H-indazol-5-yl)quinazolin-4-amine is CN(C)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-N-(1H-indazol-5-yl)quinazolin-4-amine?
The InChIKey is UEKDDZXVMFYRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6/c1-29(2)18-10-7-15(8-11-18)22-26-21-6-4-3-5-19(21)23(27-22)25-17-9-12-20-16(13-17)14-24-28-20/h3-14H,1-2H3,(H,24,28)(H,25,26,27).
What are the key properties of 2-[4-(dimethylamino)phenyl]-N-(1H-indazol-5-yl)quinazolin-4-amine?
2-[4-(dimethylamino)phenyl]-N-(1H-indazol-5-yl)quinazolin-4-amine has a molecular weight of 380.46 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-N-(1H-indazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 10156619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).