N-(1H-indazol-4-yl)-6-(4-methoxy-2-methylphenyl)quinazolin-4-amine

C23H19N5O — CID 71612331

IUPACN-(1H-indazol-4-yl)-6-(4-methoxy-2-methylphenyl)quinazolin-4-amine
SMILESCOc1ccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)c(C)c1
InChIInChI=1S/C23H19N5O/c1-14-10-16(29-2)7-8-17(14)15-6-9-20-18(11-15)23(25-13-24-20)27-21-4-3-5-22-19(21)12-26-28-22/h3-13H,1-2H3,(H,26,28)(H,24,25,27)
InChIKeyJQVUJRFPCRJONE-UHFFFAOYSA-N
MW381.44 g/mol
LogP5.23
Rot. Bonds4

About N-(1H-indazol-4-yl)-6-(4-methoxy-2-methylphenyl)quinazolin-4-amine

N-(1H-indazol-4-yl)-6-(4-methoxy-2-methylphenyl)quinazolin-4-amine (PubChem CID 71612331) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is N-(1H-indazol-4-yl)-6-(4-methoxy-2-methylphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(1H-indazol-4-yl)-6-(4-methoxy-2-methylphenyl)quinazolin-4-amine
PubChem CID71612331
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC NameN-(1H-indazol-4-yl)-6-(4-methoxy-2-methylphenyl)quinazolin-4-amine
SMILESCOc1ccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)c(C)c1
InChIInChI=1S/C23H19N5O/c1-14-10-16(29-2)7-8-17(14)15-6-9-20-18(11-15)23(25-13-24-20)27-21-4-3-5-22-19(21)12-26-28-22/h3-13H,1-2H3,(H,26,28)(H,24,25,27)
InChIKeyJQVUJRFPCRJONE-UHFFFAOYSA-N
XLogP5.23
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-4-yl)-6-(4-methoxy-2-methylphenyl)quinazolin-4-amine?
The IUPAC name of N-(1H-indazol-4-yl)-6-(4-methoxy-2-methylphenyl)quinazolin-4-amine (CID 71612331) is N-(1H-indazol-4-yl)-6-(4-methoxy-2-methylphenyl)quinazolin-4-amine.
What is the SMILES notation for N-(1H-indazol-4-yl)-6-(4-methoxy-2-methylphenyl)quinazolin-4-amine?
The canonical SMILES for N-(1H-indazol-4-yl)-6-(4-methoxy-2-methylphenyl)quinazolin-4-amine is COc1ccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)c(C)c1.
What is the InChIKey of N-(1H-indazol-4-yl)-6-(4-methoxy-2-methylphenyl)quinazolin-4-amine?
The InChIKey is JQVUJRFPCRJONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c1-14-10-16(29-2)7-8-17(14)15-6-9-20-18(11-15)23(25-13-24-20)27-21-4-3-5-22-19(21)12-26-28-22/h3-13H,1-2H3,(H,26,28)(H,24,25,27).
What are the key properties of N-(1H-indazol-4-yl)-6-(4-methoxy-2-methylphenyl)quinazolin-4-amine?
N-(1H-indazol-4-yl)-6-(4-methoxy-2-methylphenyl)quinazolin-4-amine has a molecular weight of 381.44 g/mol, XLogP of 5.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-4-yl)-6-(4-methoxy-2-methylphenyl)quinazolin-4-amine is sourced from PubChem (CID 71612331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).