1,3-dihydro-[1,3,2]oxazalumolo[4,3-j]quinoline

C10H10AlNO — CID 162303797

IUPAC1,3-dihydro-[1,3,2]oxazalumolo[4,3-j]quinoline
SMILESC1=CC2=CC=CN3[AlH]OCC23C=C1
InChIInChI=1S/C10H9NO.Al.H/c12-8-10-6-2-1-4-9(10)5-3-7-11-10;;/h1-7H,8H2;;/q-2;+2;
InChIKeyUAVBBGCXPABUSV-UHFFFAOYSA-N
MW187.18 g/mol
LogP0.90
Rot. Bonds

About 1,3-dihydro-[1,3,2]oxazalumolo[4,3-j]quinoline

1,3-dihydro-[1,3,2]oxazalumolo[4,3-j]quinoline (PubChem CID 162303797) has the molecular formula C10H10AlNO and a molecular weight of 187.18 g/mol. Its IUPAC name is 1,3-dihydro-[1,3,2]oxazalumolo[4,3-j]quinoline.

Molecular Properties

Compound Name1,3-dihydro-[1,3,2]oxazalumolo[4,3-j]quinoline
PubChem CID162303797
Molecular FormulaC10H10AlNO
Molecular Weight187.18 g/mol
Exact Mass187.06
IUPAC Name1,3-dihydro-[1,3,2]oxazalumolo[4,3-j]quinoline
SMILESC1=CC2=CC=CN3[AlH]OCC23C=C1
InChIInChI=1S/C10H9NO.Al.H/c12-8-10-6-2-1-4-9(10)5-3-7-11-10;;/h1-7H,8H2;;/q-2;+2;
InChIKeyUAVBBGCXPABUSV-UHFFFAOYSA-N
XLogP0.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-[1,3,2]oxazalumolo[4,3-j]quinoline?
The IUPAC name of 1,3-dihydro-[1,3,2]oxazalumolo[4,3-j]quinoline (CID 162303797) is 1,3-dihydro-[1,3,2]oxazalumolo[4,3-j]quinoline.
What is the SMILES notation for 1,3-dihydro-[1,3,2]oxazalumolo[4,3-j]quinoline?
The canonical SMILES for 1,3-dihydro-[1,3,2]oxazalumolo[4,3-j]quinoline is C1=CC2=CC=CN3[AlH]OCC23C=C1.
What is the InChIKey of 1,3-dihydro-[1,3,2]oxazalumolo[4,3-j]quinoline?
The InChIKey is UAVBBGCXPABUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.Al.H/c12-8-10-6-2-1-4-9(10)5-3-7-11-10;;/h1-7H,8H2;;/q-2;+2;.
What are the key properties of 1,3-dihydro-[1,3,2]oxazalumolo[4,3-j]quinoline?
1,3-dihydro-[1,3,2]oxazalumolo[4,3-j]quinoline has a molecular weight of 187.18 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-[1,3,2]oxazalumolo[4,3-j]quinoline is sourced from PubChem (CID 162303797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).