4-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline

C13H15FN2 — CID 15337800

IUPAC4-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
SMILESFc1cccc2c1N=C1CCCCCN1C2
InChIInChI=1S/C13H15FN2/c14-11-6-4-5-10-9-16-8-3-1-2-7-12(16)15-13(10)11/h4-6H,1-3,7-9H2
InChIKeyTZSOOFWETXNZQZ-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.25
Rot. Bonds

About 4-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline

4-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline (PubChem CID 15337800) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 4-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline.

Molecular Properties

Compound Name4-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
PubChem CID15337800
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name4-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
SMILESFc1cccc2c1N=C1CCCCCN1C2
InChIInChI=1S/C13H15FN2/c14-11-6-4-5-10-9-16-8-3-1-2-7-12(16)15-13(10)11/h4-6H,1-3,7-9H2
InChIKeyTZSOOFWETXNZQZ-UHFFFAOYSA-N
XLogP3.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Deoxypeganine
CID 442894
1H,2H,3H,9H-pyrrolo[2,1-b]quinazoline hydrochloride
CID 3046290
7,8,9,10,11,12,13,14,15,16-decahydroazacyclotridecino[2,1-b]quinazolin-18(6H)-imine
CID 3609939
6,8,9,11-Tetrahydro-7H-pyrido[2,1-b]quinazoline
CID 6420076
5-fluoro-3-methylquinazolin-4(3H)-imine
CID 2741487
6-phenyl-3,4-dihydro-2H-pyrimido[1,2-c]quinazoline
CID 403513
7,8,9,10-Tetrahydro-6H-azepino[2,1-b]quinazolin-12-ylideneamine
CID 317299
6,7,8,9,10,12-Hexahydroazepino[2,1-b]quinazoline
CID 10241903
3-[1-(2-Fluoro-phenyl)-meth-(E)-ylidene]-1,2,3,9-tetrahydro-pyrrolo[2,1-b]quinazoline
CID 44391276
N-[2,3-dihydropyrrolo[2,1-b]quinazoline-9(1H)-ylidenebutan-1-amine
CID 16082582
12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline
CID 46905533
4-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline
CID 46905534

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline?
The IUPAC name of 4-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline (CID 15337800) is 4-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline.
What is the SMILES notation for 4-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline?
The canonical SMILES for 4-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline is Fc1cccc2c1N=C1CCCCCN1C2.
What is the InChIKey of 4-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline?
The InChIKey is TZSOOFWETXNZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c14-11-6-4-5-10-9-16-8-3-1-2-7-12(16)15-13(10)11/h4-6H,1-3,7-9H2.
What are the key properties of 4-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline?
4-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline has a molecular weight of 218.28 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline is sourced from PubChem (CID 15337800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).