N-(1H-indazol-6-yl)-8-methyl-7-(nitrosomethyl)quinazolin-2-amine

C17H14N6O — CID 89028132

IUPACN-(1H-indazol-6-yl)-8-methyl-7-(nitrosomethyl)quinazolin-2-amine
SMILESCc1c(CN=O)ccc2cnc(Nc3ccc4cn[nH]c4c3)nc12
InChIInChI=1S/C17H14N6O/c1-10-11(9-20-24)2-3-13-7-18-17(22-16(10)13)21-14-5-4-12-8-19-23-15(12)6-14/h2-8H,9H2,1H3,(H,19,23)(H,18,21,22)
InChIKeySKODBNCSXSDXCK-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.82
Rot. Bonds4

About N-(1H-indazol-6-yl)-8-methyl-7-(nitrosomethyl)quinazolin-2-amine

N-(1H-indazol-6-yl)-8-methyl-7-(nitrosomethyl)quinazolin-2-amine (PubChem CID 89028132) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-8-methyl-7-(nitrosomethyl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-8-methyl-7-(nitrosomethyl)quinazolin-2-amine
PubChem CID89028132
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC NameN-(1H-indazol-6-yl)-8-methyl-7-(nitrosomethyl)quinazolin-2-amine
SMILESCc1c(CN=O)ccc2cnc(Nc3ccc4cn[nH]c4c3)nc12
InChIInChI=1S/C17H14N6O/c1-10-11(9-20-24)2-3-13-7-18-17(22-16(10)13)21-14-5-4-12-8-19-23-15(12)6-14/h2-8H,9H2,1H3,(H,19,23)(H,18,21,22)
InChIKeySKODBNCSXSDXCK-UHFFFAOYSA-N
XLogP3.82
TPSA95.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-8-methyl-7-(nitrosomethyl)quinazolin-2-amine?
The IUPAC name of N-(1H-indazol-6-yl)-8-methyl-7-(nitrosomethyl)quinazolin-2-amine (CID 89028132) is N-(1H-indazol-6-yl)-8-methyl-7-(nitrosomethyl)quinazolin-2-amine.
What is the SMILES notation for N-(1H-indazol-6-yl)-8-methyl-7-(nitrosomethyl)quinazolin-2-amine?
The canonical SMILES for N-(1H-indazol-6-yl)-8-methyl-7-(nitrosomethyl)quinazolin-2-amine is Cc1c(CN=O)ccc2cnc(Nc3ccc4cn[nH]c4c3)nc12.
What is the InChIKey of N-(1H-indazol-6-yl)-8-methyl-7-(nitrosomethyl)quinazolin-2-amine?
The InChIKey is SKODBNCSXSDXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c1-10-11(9-20-24)2-3-13-7-18-17(22-16(10)13)21-14-5-4-12-8-19-23-15(12)6-14/h2-8H,9H2,1H3,(H,19,23)(H,18,21,22).
What are the key properties of N-(1H-indazol-6-yl)-8-methyl-7-(nitrosomethyl)quinazolin-2-amine?
N-(1H-indazol-6-yl)-8-methyl-7-(nitrosomethyl)quinazolin-2-amine has a molecular weight of 318.34 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-8-methyl-7-(nitrosomethyl)quinazolin-2-amine is sourced from PubChem (CID 89028132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).