2-(1,2,3,4,4a,5,6,7-octahydroquinazolin-2-yl)quinazoline

C16H18N4 — CID 155758959

IUPAC2-(1,2,3,4,4a,5,6,7-octahydroquinazolin-2-yl)quinazoline
SMILESC1=C2NC(c3ncc4ccccc4n3)NCC2CCC1
InChIInChI=1S/C16H18N4/c1-3-7-13-11(5-1)9-17-15(19-13)16-18-10-12-6-2-4-8-14(12)20-16/h1,3,5,7-9,12,16,18,20H,2,4,6,10H2
InChIKeyHEVJSPTWPOVBGG-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.51
Rot. Bonds1

About 2-(1,2,3,4,4a,5,6,7-octahydroquinazolin-2-yl)quinazoline

2-(1,2,3,4,4a,5,6,7-octahydroquinazolin-2-yl)quinazoline (PubChem CID 155758959) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-(1,2,3,4,4a,5,6,7-octahydroquinazolin-2-yl)quinazoline.

Molecular Properties

Compound Name2-(1,2,3,4,4a,5,6,7-octahydroquinazolin-2-yl)quinazoline
PubChem CID155758959
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name2-(1,2,3,4,4a,5,6,7-octahydroquinazolin-2-yl)quinazoline
SMILESC1=C2NC(c3ncc4ccccc4n3)NCC2CCC1
InChIInChI=1S/C16H18N4/c1-3-7-13-11(5-1)9-17-15(19-13)16-18-10-12-6-2-4-8-14(12)20-16/h1,3,5,7-9,12,16,18,20H,2,4,6,10H2
InChIKeyHEVJSPTWPOVBGG-UHFFFAOYSA-N
XLogP2.51
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,4a,5,6,7-octahydroquinazolin-2-yl)quinazoline?
The IUPAC name of 2-(1,2,3,4,4a,5,6,7-octahydroquinazolin-2-yl)quinazoline (CID 155758959) is 2-(1,2,3,4,4a,5,6,7-octahydroquinazolin-2-yl)quinazoline.
What is the SMILES notation for 2-(1,2,3,4,4a,5,6,7-octahydroquinazolin-2-yl)quinazoline?
The canonical SMILES for 2-(1,2,3,4,4a,5,6,7-octahydroquinazolin-2-yl)quinazoline is C1=C2NC(c3ncc4ccccc4n3)NCC2CCC1.
What is the InChIKey of 2-(1,2,3,4,4a,5,6,7-octahydroquinazolin-2-yl)quinazoline?
The InChIKey is HEVJSPTWPOVBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-3-7-13-11(5-1)9-17-15(19-13)16-18-10-12-6-2-4-8-14(12)20-16/h1,3,5,7-9,12,16,18,20H,2,4,6,10H2.
What are the key properties of 2-(1,2,3,4,4a,5,6,7-octahydroquinazolin-2-yl)quinazoline?
2-(1,2,3,4,4a,5,6,7-octahydroquinazolin-2-yl)quinazoline has a molecular weight of 266.35 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,4a,5,6,7-octahydroquinazolin-2-yl)quinazoline is sourced from PubChem (CID 155758959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).