4-(1,4-diazepan-1-yl)-6-fluoroquinoline

C14H16FN3 — CID 53399075

IUPAC4-(1,4-diazepan-1-yl)-6-fluoroquinoline
SMILESFc1ccc2nccc(N3CCCNCC3)c2c1
InChIInChI=1S/C14H16FN3/c15-11-2-3-13-12(10-11)14(4-6-17-13)18-8-1-5-16-7-9-18/h2-4,6,10,16H,1,5,7-9H2
InChIKeyPGTOPPQZYOFRSL-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.17
Rot. Bonds1

About 4-(1,4-diazepan-1-yl)-6-fluoroquinoline

4-(1,4-diazepan-1-yl)-6-fluoroquinoline (PubChem CID 53399075) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-(1,4-diazepan-1-yl)-6-fluoroquinoline.

Molecular Properties

Compound Name4-(1,4-diazepan-1-yl)-6-fluoroquinoline
PubChem CID53399075
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name4-(1,4-diazepan-1-yl)-6-fluoroquinoline
SMILESFc1ccc2nccc(N3CCCNCC3)c2c1
InChIInChI=1S/C14H16FN3/c15-11-2-3-13-12(10-11)14(4-6-17-13)18-8-1-5-16-7-9-18/h2-4,6,10,16H,1,5,7-9H2
InChIKeyPGTOPPQZYOFRSL-UHFFFAOYSA-N
XLogP2.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-4-piperidin-1-ylquinoline
CID 142561442
4-(1,4-diazepan-1-yl)quinoline
CID 61339543
1-(6-fluoroquinolin-4-yl)piperidin-4-one
CID 95929822
4-[4,8-bis(7-chloroquinolin-4-yl)-1,4,8,11-tetrazacyclotetradec-1-yl]-7-chloroquinoline
CID 10747137
3-fluoro-5-piperazin-1-ylquinoline
CID 21073301
4-(1,4-diazepan-1-yl)-6-(4-propan-2-ylphenyl)sulfonylquinoline;hydrochloride
CID 10321324
(3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine
CID 66954813
azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone
CID 91952386
4-(4-ethenylsulfonylpiperazin-1-yl)-6-fluoroquinoline
CID 174207411
sodium 4-piperazin-1-ylquinolin-7-olate
CID 141086656
1-(2,4-difluorophenyl)piperazine;pyrrolidine
CID 143374840
2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid
CID 121318145

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-diazepan-1-yl)-6-fluoroquinoline?
The IUPAC name of 4-(1,4-diazepan-1-yl)-6-fluoroquinoline (CID 53399075) is 4-(1,4-diazepan-1-yl)-6-fluoroquinoline.
What is the SMILES notation for 4-(1,4-diazepan-1-yl)-6-fluoroquinoline?
The canonical SMILES for 4-(1,4-diazepan-1-yl)-6-fluoroquinoline is Fc1ccc2nccc(N3CCCNCC3)c2c1.
What is the InChIKey of 4-(1,4-diazepan-1-yl)-6-fluoroquinoline?
The InChIKey is PGTOPPQZYOFRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c15-11-2-3-13-12(10-11)14(4-6-17-13)18-8-1-5-16-7-9-18/h2-4,6,10,16H,1,5,7-9H2.
What are the key properties of 4-(1,4-diazepan-1-yl)-6-fluoroquinoline?
4-(1,4-diazepan-1-yl)-6-fluoroquinoline has a molecular weight of 245.30 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-diazepan-1-yl)-6-fluoroquinoline is sourced from PubChem (CID 53399075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).