2-ethyl-4,4a-dihydroquinazoline

C10H12N2 — CID 138718106

IUPAC2-ethyl-4,4a-dihydroquinazoline
SMILESCCC1=NCC2C=CC=CC2=N1
InChIInChI=1S/C10H12N2/c1-2-10-11-7-8-5-3-4-6-9(8)12-10/h3-6,8H,2,7H2,1H3
InChIKeyGNUCZYIYAGRAOT-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.99
Rot. Bonds1

About 2-ethyl-4,4a-dihydroquinazoline

2-ethyl-4,4a-dihydroquinazoline (PubChem CID 138718106) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-ethyl-4,4a-dihydroquinazoline.

Molecular Properties

Compound Name2-ethyl-4,4a-dihydroquinazoline
PubChem CID138718106
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-ethyl-4,4a-dihydroquinazoline
SMILESCCC1=NCC2C=CC=CC2=N1
InChIInChI=1S/C10H12N2/c1-2-10-11-7-8-5-3-4-6-9(8)12-10/h3-6,8H,2,7H2,1H3
InChIKeyGNUCZYIYAGRAOT-UHFFFAOYSA-N
XLogP1.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,4a-dihydroquinazoline?
The IUPAC name of 2-ethyl-4,4a-dihydroquinazoline (CID 138718106) is 2-ethyl-4,4a-dihydroquinazoline.
What is the SMILES notation for 2-ethyl-4,4a-dihydroquinazoline?
The canonical SMILES for 2-ethyl-4,4a-dihydroquinazoline is CCC1=NCC2C=CC=CC2=N1.
What is the InChIKey of 2-ethyl-4,4a-dihydroquinazoline?
The InChIKey is GNUCZYIYAGRAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-10-11-7-8-5-3-4-6-9(8)12-10/h3-6,8H,2,7H2,1H3.
What are the key properties of 2-ethyl-4,4a-dihydroquinazoline?
2-ethyl-4,4a-dihydroquinazoline has a molecular weight of 160.22 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,4a-dihydroquinazoline is sourced from PubChem (CID 138718106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).