6-[amino-(7-fluoroquinolin-4-yl)amino]-3-ethylhexan-1-ol

C17H24FN3O — CID 69170919

IUPAC6-[amino-(7-fluoroquinolin-4-yl)amino]-3-ethylhexan-1-ol
SMILESCCC(CCO)CCCN(N)c1ccnc2cc(F)ccc12
InChIInChI=1S/C17H24FN3O/c1-2-13(8-11-22)4-3-10-21(19)17-7-9-20-16-12-14(18)5-6-15(16)17/h5-7,9,12-13,22H,2-4,8,10-11,19H2,1H3
InChIKeyTYVAPQROTCCTGR-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.24
Rot. Bonds8

About 6-[amino-(7-fluoroquinolin-4-yl)amino]-3-ethylhexan-1-ol

6-[amino-(7-fluoroquinolin-4-yl)amino]-3-ethylhexan-1-ol (PubChem CID 69170919) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is 6-[amino-(7-fluoroquinolin-4-yl)amino]-3-ethylhexan-1-ol.

Molecular Properties

Compound Name6-[amino-(7-fluoroquinolin-4-yl)amino]-3-ethylhexan-1-ol
PubChem CID69170919
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC Name6-[amino-(7-fluoroquinolin-4-yl)amino]-3-ethylhexan-1-ol
SMILESCCC(CCO)CCCN(N)c1ccnc2cc(F)ccc12
InChIInChI=1S/C17H24FN3O/c1-2-13(8-11-22)4-3-10-21(19)17-7-9-20-16-12-14(18)5-6-15(16)17/h5-7,9,12-13,22H,2-4,8,10-11,19H2,1H3
InChIKeyTYVAPQROTCCTGR-UHFFFAOYSA-N
XLogP3.24
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[amino-(7-fluoroquinolin-4-yl)amino]-3-ethylhexan-1-ol?
The IUPAC name of 6-[amino-(7-fluoroquinolin-4-yl)amino]-3-ethylhexan-1-ol (CID 69170919) is 6-[amino-(7-fluoroquinolin-4-yl)amino]-3-ethylhexan-1-ol.
What is the SMILES notation for 6-[amino-(7-fluoroquinolin-4-yl)amino]-3-ethylhexan-1-ol?
The canonical SMILES for 6-[amino-(7-fluoroquinolin-4-yl)amino]-3-ethylhexan-1-ol is CCC(CCO)CCCN(N)c1ccnc2cc(F)ccc12.
What is the InChIKey of 6-[amino-(7-fluoroquinolin-4-yl)amino]-3-ethylhexan-1-ol?
The InChIKey is TYVAPQROTCCTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O/c1-2-13(8-11-22)4-3-10-21(19)17-7-9-20-16-12-14(18)5-6-15(16)17/h5-7,9,12-13,22H,2-4,8,10-11,19H2,1H3.
What are the key properties of 6-[amino-(7-fluoroquinolin-4-yl)amino]-3-ethylhexan-1-ol?
6-[amino-(7-fluoroquinolin-4-yl)amino]-3-ethylhexan-1-ol has a molecular weight of 305.40 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(7-fluoroquinolin-4-yl)amino]-3-ethylhexan-1-ol is sourced from PubChem (CID 69170919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).