4H-pyrimido[1,2-b]isoquinoline

C12H10N2 — CID 88813954

IUPAC4H-pyrimido[1,2-b]isoquinoline
SMILESC1=CN=C2C=c3ccccc3=CN2C1
InChIInChI=1S/C12H10N2/c1-2-5-11-9-14-7-3-6-13-12(14)8-10(11)4-1/h1-6,8-9H,7H2
InChIKeyKHKRHBZEGJCWSX-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.45
Rot. Bonds

About 4H-pyrimido[1,2-b]isoquinoline

4H-pyrimido[1,2-b]isoquinoline (PubChem CID 88813954) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 4H-pyrimido[1,2-b]isoquinoline.

Molecular Properties

Compound Name4H-pyrimido[1,2-b]isoquinoline
PubChem CID88813954
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name4H-pyrimido[1,2-b]isoquinoline
SMILESC1=CN=C2C=c3ccccc3=CN2C1
InChIInChI=1S/C12H10N2/c1-2-5-11-9-14-7-3-6-13-12(14)8-10(11)4-1/h1-6,8-9H,7H2
InChIKeyKHKRHBZEGJCWSX-UHFFFAOYSA-N
XLogP0.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4H-pyrimido[1,2-b]isoquinoline?
The IUPAC name of 4H-pyrimido[1,2-b]isoquinoline (CID 88813954) is 4H-pyrimido[1,2-b]isoquinoline.
What is the SMILES notation for 4H-pyrimido[1,2-b]isoquinoline?
The canonical SMILES for 4H-pyrimido[1,2-b]isoquinoline is C1=CN=C2C=c3ccccc3=CN2C1.
What is the InChIKey of 4H-pyrimido[1,2-b]isoquinoline?
The InChIKey is KHKRHBZEGJCWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-5-11-9-14-7-3-6-13-12(14)8-10(11)4-1/h1-6,8-9H,7H2.
What are the key properties of 4H-pyrimido[1,2-b]isoquinoline?
4H-pyrimido[1,2-b]isoquinoline has a molecular weight of 182.23 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrimido[1,2-b]isoquinoline is sourced from PubChem (CID 88813954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).