N-(1H-indazol-4-yl)-6-(3-methoxyphenyl)quinazolin-4-amine

C22H17N5O — CID 86766677

IUPACN-(1H-indazol-4-yl)-6-(3-methoxyphenyl)quinazolin-4-amine
SMILESCOc1cccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)c1
InChIInChI=1S/C22H17N5O/c1-28-16-5-2-4-14(10-16)15-8-9-19-17(11-15)22(24-13-23-19)26-20-6-3-7-21-18(20)12-25-27-21/h2-13H,1H3,(H,25,27)(H,23,24,26)
InChIKeyYKZSYYCQJRZFMI-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.93
Rot. Bonds4

About N-(1H-indazol-4-yl)-6-(3-methoxyphenyl)quinazolin-4-amine

N-(1H-indazol-4-yl)-6-(3-methoxyphenyl)quinazolin-4-amine (PubChem CID 86766677) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(1H-indazol-4-yl)-6-(3-methoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(1H-indazol-4-yl)-6-(3-methoxyphenyl)quinazolin-4-amine
PubChem CID86766677
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC NameN-(1H-indazol-4-yl)-6-(3-methoxyphenyl)quinazolin-4-amine
SMILESCOc1cccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)c1
InChIInChI=1S/C22H17N5O/c1-28-16-5-2-4-14(10-16)15-8-9-19-17(11-15)22(24-13-23-19)26-20-6-3-7-21-18(20)12-25-27-21/h2-13H,1H3,(H,25,27)(H,23,24,26)
InChIKeyYKZSYYCQJRZFMI-UHFFFAOYSA-N
XLogP4.93
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.93
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-(3-methoxyphenyl)quinazolin-4-amine?
The IUPAC name of N-(1H-indazol-4-yl)-6-(3-methoxyphenyl)quinazolin-4-amine (CID 86766677) is N-(1H-indazol-4-yl)-6-(3-methoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for N-(1H-indazol-4-yl)-6-(3-methoxyphenyl)quinazolin-4-amine?
The canonical SMILES for N-(1H-indazol-4-yl)-6-(3-methoxyphenyl)quinazolin-4-amine is COc1cccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)c1.
What is the InChIKey of N-(1H-indazol-4-yl)-6-(3-methoxyphenyl)quinazolin-4-amine?
The InChIKey is YKZSYYCQJRZFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c1-28-16-5-2-4-14(10-16)15-8-9-19-17(11-15)22(24-13-23-19)26-20-6-3-7-21-18(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-(3-methoxyphenyl)quinazolin-4-amine?
N-(1H-indazol-4-yl)-6-(3-methoxyphenyl)quinazolin-4-amine has a molecular weight of 367.41 g/mol, XLogP of 4.93, 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-(3-methoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 86766677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).