N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine

C17H15N5O2 — CID 18770844

IUPACN-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc4[nH]ncc4c3)c2cc1OC
InChIInChI=1S/C17H15N5O2/c1-23-15-6-12-14(7-16(15)24-2)18-9-19-17(12)21-11-3-4-13-10(5-11)8-20-22-13/h3-9H,1-2H3,(H,20,22)(H,18,19,21)
InChIKeyJWNOYNAROOUTEY-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.27
Rot. Bonds4

About N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine

N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine (PubChem CID 18770844) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine
PubChem CID18770844
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC NameN-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc4[nH]ncc4c3)c2cc1OC
InChIInChI=1S/C17H15N5O2/c1-23-15-6-12-14(7-16(15)24-2)18-9-19-17(12)21-11-3-4-13-10(5-11)8-20-22-13/h3-9H,1-2H3,(H,20,22)(H,18,19,21)
InChIKeyJWNOYNAROOUTEY-UHFFFAOYSA-N
XLogP3.27
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine (CID 18770844) is N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine is COc1cc2ncnc(Nc3ccc4[nH]ncc4c3)c2cc1OC.
What is the InChIKey of N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is JWNOYNAROOUTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-23-15-6-12-14(7-16(15)24-2)18-9-19-17(12)21-11-3-4-13-10(5-11)8-20-22-13/h3-9H,1-2H3,(H,20,22)(H,18,19,21).
What are the key properties of N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine?
N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 321.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 18770844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).