6-[(2,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol

C18H16Cl2N2O — CID 15959156

IUPAC6-[(2,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol
SMILESOC1(Cc2ccc(Cl)cc2Cl)c2ccccc2C2=NCCCN21
InChIInChI=1S/C18H16Cl2N2O/c19-13-7-6-12(16(20)10-13)11-18(23)15-5-2-1-4-14(15)17-21-8-3-9-22(17)18/h1-2,4-7,10,23H,3,8-9,11H2
InChIKeyQJKYNRVTOMYEGT-UHFFFAOYSA-N
MW347.25 g/mol
LogP3.85
Rot. Bonds2

About 6-[(2,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol

6-[(2,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol (PubChem CID 15959156) has the molecular formula C18H16Cl2N2O and a molecular weight of 347.25 g/mol. Its IUPAC name is 6-[(2,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol.

Molecular Properties

Compound Name6-[(2,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol
PubChem CID15959156
Molecular FormulaC18H16Cl2N2O
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name6-[(2,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol
SMILESOC1(Cc2ccc(Cl)cc2Cl)c2ccccc2C2=NCCCN21
InChIInChI=1S/C18H16Cl2N2O/c19-13-7-6-12(16(20)10-13)11-18(23)15-5-2-1-4-14(15)17-21-8-3-9-22(17)18/h1-2,4-7,10,23H,3,8-9,11H2
InChIKeyQJKYNRVTOMYEGT-UHFFFAOYSA-N
XLogP3.85
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol?
The IUPAC name of 6-[(2,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol (CID 15959156) is 6-[(2,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol.
What is the SMILES notation for 6-[(2,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol?
The canonical SMILES for 6-[(2,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol is OC1(Cc2ccc(Cl)cc2Cl)c2ccccc2C2=NCCCN21.
What is the InChIKey of 6-[(2,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol?
The InChIKey is QJKYNRVTOMYEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O/c19-13-7-6-12(16(20)10-13)11-18(23)15-5-2-1-4-14(15)17-21-8-3-9-22(17)18/h1-2,4-7,10,23H,3,8-9,11H2.
What are the key properties of 6-[(2,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol?
6-[(2,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol has a molecular weight of 347.25 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol is sourced from PubChem (CID 15959156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).