1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol

C12H13FN2O — CID 44537691

IUPAC1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol
SMILESOC1c2c(F)cccc2N=C2CCCCN21
InChIInChI=1S/C12H13FN2O/c13-8-4-3-5-9-11(8)12(16)15-7-2-1-6-10(15)14-9/h3-5,12,16H,1-2,6-7H2
InChIKeyUGPPJDBSDVDSDI-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.35
Rot. Bonds

About 1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol

1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol (PubChem CID 44537691) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol.

Molecular Properties

Compound Name1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol
PubChem CID44537691
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol
SMILESOC1c2c(F)cccc2N=C2CCCCN21
InChIInChI=1S/C12H13FN2O/c13-8-4-3-5-9-11(8)12(16)15-7-2-1-6-10(15)14-9/h3-5,12,16H,1-2,6-7H2
InChIKeyUGPPJDBSDVDSDI-UHFFFAOYSA-N
XLogP2.35
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol?
The IUPAC name of 1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol (CID 44537691) is 1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol.
What is the SMILES notation for 1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol?
The canonical SMILES for 1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol is OC1c2c(F)cccc2N=C2CCCCN21.
What is the InChIKey of 1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol?
The InChIKey is UGPPJDBSDVDSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c13-8-4-3-5-9-11(8)12(16)15-7-2-1-6-10(15)14-9/h3-5,12,16H,1-2,6-7H2.
What are the key properties of 1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol?
1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol has a molecular weight of 220.25 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol is sourced from PubChem (CID 44537691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).