4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one;hydrochloride

C14H15ClN2O — CID 171376004

IUPAC4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one;hydrochloride
SMILESCC1=c2ccccc2=CN2C1=NC(=O)CC2C.Cl
InChIInChI=1S/C14H14N2O.ClH/c1-9-7-13(17)15-14-10(2)12-6-4-3-5-11(12)8-16(9)14;/h3-6,8-9H,7H2,1-2H3;1H
InChIKeyHZPNLYSPPSPACQ-UHFFFAOYSA-N
MW262.74 g/mol
LogP1.05
Rot. Bonds

About 4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one;hydrochloride

4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one;hydrochloride (PubChem CID 171376004) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one;hydrochloride.

Molecular Properties

Compound Name4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one;hydrochloride
PubChem CID171376004
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one;hydrochloride
SMILESCC1=c2ccccc2=CN2C1=NC(=O)CC2C.Cl
InChIInChI=1S/C14H14N2O.ClH/c1-9-7-13(17)15-14-10(2)12-6-4-3-5-11(12)8-16(9)14;/h3-6,8-9H,7H2,1-2H3;1H
InChIKeyHZPNLYSPPSPACQ-UHFFFAOYSA-N
XLogP1.05
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one;hydrochloride?
The IUPAC name of 4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one;hydrochloride (CID 171376004) is 4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one;hydrochloride.
What is the SMILES notation for 4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one;hydrochloride?
The canonical SMILES for 4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one;hydrochloride is CC1=c2ccccc2=CN2C1=NC(=O)CC2C.Cl.
What is the InChIKey of 4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one;hydrochloride?
The InChIKey is HZPNLYSPPSPACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O.ClH/c1-9-7-13(17)15-14-10(2)12-6-4-3-5-11(12)8-16(9)14;/h3-6,8-9H,7H2,1-2H3;1H.
What are the key properties of 4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one;hydrochloride?
4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one;hydrochloride has a molecular weight of 262.74 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one;hydrochloride is sourced from PubChem (CID 171376004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).