4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-fluoro-5H-pyrimido[5,4-b]indole

C19H15FN4 — CID 920148

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-fluoro-5H-pyrimido[5,4-b]indole
SMILESFc1ccc2[nH]c3c(N4CCc5ccccc5C4)ncnc3c2c1
InChIInChI=1S/C19H15FN4/c20-14-5-6-16-15(9-14)17-18(23-16)19(22-11-21-17)24-8-7-12-3-1-2-4-13(12)10-24/h1-6,9,11,23H,7-8,10H2
InChIKeyGLFPCJRGYHIIEA-UHFFFAOYSA-N
MW318.36 g/mol
LogP3.81
Rot. Bonds1

About 4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-fluoro-5H-pyrimido[5,4-b]indole

4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-fluoro-5H-pyrimido[5,4-b]indole (PubChem CID 920148) has the molecular formula C19H15FN4 and a molecular weight of 318.36 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-fluoro-5H-pyrimido[5,4-b]indole.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-fluoro-5H-pyrimido[5,4-b]indole
PubChem CID920148
Molecular FormulaC19H15FN4
Molecular Weight318.36 g/mol
Exact Mass318.13
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-fluoro-5H-pyrimido[5,4-b]indole
SMILESFc1ccc2[nH]c3c(N4CCc5ccccc5C4)ncnc3c2c1
InChIInChI=1S/C19H15FN4/c20-14-5-6-16-15(9-14)17-18(23-16)19(22-11-21-17)24-8-7-12-3-1-2-4-13(12)10-24/h1-6,9,11,23H,7-8,10H2
InChIKeyGLFPCJRGYHIIEA-UHFFFAOYSA-N
XLogP3.81
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-fluoro-5H-pyrimido[5,4-b]indole?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-fluoro-5H-pyrimido[5,4-b]indole (CID 920148) is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-fluoro-5H-pyrimido[5,4-b]indole.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-fluoro-5H-pyrimido[5,4-b]indole?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-fluoro-5H-pyrimido[5,4-b]indole is Fc1ccc2[nH]c3c(N4CCc5ccccc5C4)ncnc3c2c1.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-fluoro-5H-pyrimido[5,4-b]indole?
The InChIKey is GLFPCJRGYHIIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4/c20-14-5-6-16-15(9-14)17-18(23-16)19(22-11-21-17)24-8-7-12-3-1-2-4-13(12)10-24/h1-6,9,11,23H,7-8,10H2.
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-fluoro-5H-pyrimido[5,4-b]indole?
4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-fluoro-5H-pyrimido[5,4-b]indole has a molecular weight of 318.36 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-fluoro-5H-pyrimido[5,4-b]indole is sourced from PubChem (CID 920148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).