1-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-ol

C13H15FN2O — CID 44537694

IUPAC1-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-ol
SMILESOC1c2c(F)cccc2N=C2CCCCCN21
InChIInChI=1S/C13H15FN2O/c14-9-5-4-6-10-12(9)13(17)16-8-3-1-2-7-11(16)15-10/h4-6,13,17H,1-3,7-8H2
InChIKeyURPMDGUMNNBGNG-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.74
Rot. Bonds

About 1-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-ol

1-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-ol (PubChem CID 44537694) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 1-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-ol.

Molecular Properties

Compound Name1-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-ol
PubChem CID44537694
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name1-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-ol
SMILESOC1c2c(F)cccc2N=C2CCCCCN21
InChIInChI=1S/C13H15FN2O/c14-9-5-4-6-10-12(9)13(17)16-8-3-1-2-7-11(16)15-10/h4-6,13,17H,1-3,7-8H2
InChIKeyURPMDGUMNNBGNG-UHFFFAOYSA-N
XLogP2.74
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-ol with MolForge

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Related Compounds

1,2,3,9-Tetrahydropyrrolo(2,1-b)quinazolin-9-ol
CID 3756584
Quinazoline, 5-fluoro-3,4-dihydro-4-hydroxy-
CID 145946017
1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol
CID 44537691
2-Bromo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-ol
CID 44537693
Quinazoline, 7-fluoro-3,4-dihydro-4-hydroxy-
CID 163647227
Quinazoline, 6-fluoro-3,4-dihydro-4-hydroxy-
CID 171384462
Quinazoline, 6-fluoro-3,4-dihydro-4-hydroxy-2-methyl-
CID 171384712
(9R)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol
CID 906608
3-Methyl-4-hydroxy-3,4-dihydroquinazoline
CID 12219366
2-tert-Butyl-1,4-dihydroquinazolin-4-ol
CID 58798390
Quinazoline, 3,4-dihydro-4-hydroxy-2-methyl-
CID 139473177
8-Fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol
CID 44537689

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-ol?
The IUPAC name of 1-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-ol (CID 44537694) is 1-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-ol.
What is the SMILES notation for 1-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-ol?
The canonical SMILES for 1-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-ol is OC1c2c(F)cccc2N=C2CCCCCN21.
What is the InChIKey of 1-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-ol?
The InChIKey is URPMDGUMNNBGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c14-9-5-4-6-10-12(9)13(17)16-8-3-1-2-7-11(16)15-10/h4-6,13,17H,1-3,7-8H2.
What are the key properties of 1-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-ol?
1-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-ol has a molecular weight of 234.27 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-ol is sourced from PubChem (CID 44537694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).