1-[[(6-fluoroquinazolin-4-yl)amino]methyl]-2,3-dihydroinden-1-ol

C18H16FN3O — CID 91646855

IUPAC1-[[(6-fluoroquinazolin-4-yl)amino]methyl]-2,3-dihydroinden-1-ol
SMILESOC1(CNc2ncnc3ccc(F)cc23)CCc2ccccc21
InChIInChI=1S/C18H16FN3O/c19-13-5-6-16-14(9-13)17(22-11-21-16)20-10-18(23)8-7-12-3-1-2-4-15(12)18/h1-6,9,11,23H,7-8,10H2,(H,20,21,22)
InChIKeyHFJQDMLMFOMPCD-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.01
Rot. Bonds3

About 1-[[(6-fluoroquinazolin-4-yl)amino]methyl]-2,3-dihydroinden-1-ol

1-[[(6-fluoroquinazolin-4-yl)amino]methyl]-2,3-dihydroinden-1-ol (PubChem CID 91646855) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 1-[[(6-fluoroquinazolin-4-yl)amino]methyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-[[(6-fluoroquinazolin-4-yl)amino]methyl]-2,3-dihydroinden-1-ol
PubChem CID91646855
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name1-[[(6-fluoroquinazolin-4-yl)amino]methyl]-2,3-dihydroinden-1-ol
SMILESOC1(CNc2ncnc3ccc(F)cc23)CCc2ccccc21
InChIInChI=1S/C18H16FN3O/c19-13-5-6-16-14(9-13)17(22-11-21-16)20-10-18(23)8-7-12-3-1-2-4-15(12)18/h1-6,9,11,23H,7-8,10H2,(H,20,21,22)
InChIKeyHFJQDMLMFOMPCD-UHFFFAOYSA-N
XLogP3.01
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(6-fluoroquinazolin-4-yl)amino]methyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 1-[[(6-fluoroquinazolin-4-yl)amino]methyl]-2,3-dihydroinden-1-ol (CID 91646855) is 1-[[(6-fluoroquinazolin-4-yl)amino]methyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-[[(6-fluoroquinazolin-4-yl)amino]methyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-[[(6-fluoroquinazolin-4-yl)amino]methyl]-2,3-dihydroinden-1-ol is OC1(CNc2ncnc3ccc(F)cc23)CCc2ccccc21.
What is the InChIKey of 1-[[(6-fluoroquinazolin-4-yl)amino]methyl]-2,3-dihydroinden-1-ol?
The InChIKey is HFJQDMLMFOMPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c19-13-5-6-16-14(9-13)17(22-11-21-16)20-10-18(23)8-7-12-3-1-2-4-15(12)18/h1-6,9,11,23H,7-8,10H2,(H,20,21,22).
What are the key properties of 1-[[(6-fluoroquinazolin-4-yl)amino]methyl]-2,3-dihydroinden-1-ol?
1-[[(6-fluoroquinazolin-4-yl)amino]methyl]-2,3-dihydroinden-1-ol has a molecular weight of 309.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-fluoroquinazolin-4-yl)amino]methyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 91646855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).