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

C13H15FN2 — CID 15337797

IUPAC1-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
SMILESFc1cccc2c1CN1CCCCCC1=N2
InChIInChI=1S/C13H15FN2/c14-11-5-4-6-12-10(11)9-16-8-3-1-2-7-13(16)15-12/h4-6H,1-3,7-9H2
InChIKeyTWBAAMRYCYOGLE-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.25
Rot. Bonds

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

1-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline (PubChem CID 15337797) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 1-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline.

Molecular Properties

Compound Name1-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
PubChem CID15337797
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name1-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
SMILESFc1cccc2c1CN1CCCCCC1=N2
InChIInChI=1S/C13H15FN2/c14-11-5-4-6-12-10(11)9-16-8-3-1-2-7-13(16)15-12/h4-6H,1-3,7-9H2
InChIKeyTWBAAMRYCYOGLE-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
2,3-dihydropyrrolo(2,1-b)quinazolin-9(1H)-imine
CID 21094663
Dazepinil
CID 53432
7,8,9,10,11,12,13,14,15,16-decahydroazacyclotridecino[2,1-b]quinazolin-18(6H)-imine
CID 3609939
3-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline
CID 18992275
6,8,9,11-Tetrahydro-7H-pyrido[2,1-b]quinazoline
CID 6420076
1-phenyl-N-(8,9,10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylidene)methanamine
CID 53320629
5-fluoro-3-methylquinazolin-4(3H)-imine
CID 2741487
6-phenyl-3,4-dihydro-2H-pyrimido[1,2-c]quinazoline
CID 403513
N-[7-(7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-ylideneamino)heptyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-imine
CID 16082588
2-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline
CID 46905532

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline?
The IUPAC name of 1-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline (CID 15337797) is 1-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline.
What is the SMILES notation for 1-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline?
The canonical SMILES for 1-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline is Fc1cccc2c1CN1CCCCCC1=N2.
What is the InChIKey of 1-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline?
The InChIKey is TWBAAMRYCYOGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c14-11-5-4-6-12-10(11)9-16-8-3-1-2-7-13(16)15-12/h4-6H,1-3,7-9H2.
What are the key properties of 1-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline?
1-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 1-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline is sourced from PubChem (CID 15337797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).