9H-pyrimido[1,2-a]quinoline

C12H10N2 — CID 91449658

IUPAC9H-pyrimido[1,2-a]quinoline
SMILESC1=CN2C(=CC=C3C=CCC=C32)N=C1
InChIInChI=1S/C12H10N2/c1-2-5-11-10(4-1)6-7-12-13-8-3-9-14(11)12/h1,3-9H,2H2
InChIKeyXNLZESSLJNRZNC-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.51
Rot. Bonds

About 9H-pyrimido[1,2-a]quinoline

9H-pyrimido[1,2-a]quinoline (PubChem CID 91449658) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 9H-pyrimido[1,2-a]quinoline.

Molecular Properties

Compound Name9H-pyrimido[1,2-a]quinoline
PubChem CID91449658
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name9H-pyrimido[1,2-a]quinoline
SMILESC1=CN2C(=CC=C3C=CCC=C32)N=C1
InChIInChI=1S/C12H10N2/c1-2-5-11-10(4-1)6-7-12-13-8-3-9-14(11)12/h1,3-9H,2H2
InChIKeyXNLZESSLJNRZNC-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9H-pyrimido[1,2-a]quinoline?
The IUPAC name of 9H-pyrimido[1,2-a]quinoline (CID 91449658) is 9H-pyrimido[1,2-a]quinoline.
What is the SMILES notation for 9H-pyrimido[1,2-a]quinoline?
The canonical SMILES for 9H-pyrimido[1,2-a]quinoline is C1=CN2C(=CC=C3C=CCC=C32)N=C1.
What is the InChIKey of 9H-pyrimido[1,2-a]quinoline?
The InChIKey is XNLZESSLJNRZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-5-11-10(4-1)6-7-12-13-8-3-9-14(11)12/h1,3-9H,2H2.
What are the key properties of 9H-pyrimido[1,2-a]quinoline?
9H-pyrimido[1,2-a]quinoline has a molecular weight of 182.23 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-pyrimido[1,2-a]quinoline is sourced from PubChem (CID 91449658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).