2-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)quinazoline

C17H18N4 — CID 123773230

IUPAC2-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)quinazoline
SMILESCC1(C)CCCc2c(-c3ncc4ccccc4n3)n[nH]c21
InChIInChI=1S/C17H18N4/c1-17(2)9-5-7-12-14(20-21-15(12)17)16-18-10-11-6-3-4-8-13(11)19-16/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,20,21)
InChIKeyQAQARYACHZWUBO-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.63
Rot. Bonds1

About 2-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)quinazoline

2-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)quinazoline (PubChem CID 123773230) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)quinazoline.

Molecular Properties

Compound Name2-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)quinazoline
PubChem CID123773230
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name2-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)quinazoline
SMILESCC1(C)CCCc2c(-c3ncc4ccccc4n3)n[nH]c21
InChIInChI=1S/C17H18N4/c1-17(2)9-5-7-12-14(20-21-15(12)17)16-18-10-11-6-3-4-8-13(11)19-16/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,20,21)
InChIKeyQAQARYACHZWUBO-UHFFFAOYSA-N
XLogP3.63
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)quinazoline?
The IUPAC name of 2-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)quinazoline (CID 123773230) is 2-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)quinazoline.
What is the SMILES notation for 2-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)quinazoline?
The canonical SMILES for 2-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)quinazoline is CC1(C)CCCc2c(-c3ncc4ccccc4n3)n[nH]c21.
What is the InChIKey of 2-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)quinazoline?
The InChIKey is QAQARYACHZWUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-17(2)9-5-7-12-14(20-21-15(12)17)16-18-10-11-6-3-4-8-13(11)19-16/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,20,21).
What are the key properties of 2-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)quinazoline?
2-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)quinazoline has a molecular weight of 278.36 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)quinazoline is sourced from PubChem (CID 123773230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).