(NE)-N-[[3-fluoro-6-[4-(quinolin-1-ium-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine

C19H20FN4O+ — CID 142560329

IUPAC(NE)-N-[[3-fluoro-6-[4-(quinolin-1-ium-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine
SMILESO/N=C/c1nc(CCCCNc2cc[nH+]c3ccccc23)ccc1F
InChIInChI=1S/C19H19FN4O/c20-16-9-8-14(24-19(16)13-23-25)5-3-4-11-21-18-10-12-22-17-7-2-1-6-15(17)18/h1-2,6-10,12-13,25H,3-5,11H2,(H,21,22)/p+1/b23-13+
InChIKeyUOJQIKZXGRMGTM-YDZHTSKRSA-O
MW339.39 g/mol
LogP3.43
Rot. Bonds7

About (NE)-N-[[3-fluoro-6-[4-(quinolin-1-ium-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine

(NE)-N-[[3-fluoro-6-[4-(quinolin-1-ium-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine (PubChem CID 142560329) has the molecular formula C19H20FN4O+ and a molecular weight of 339.39 g/mol. Its IUPAC name is (NE)-N-[[3-fluoro-6-[4-(quinolin-1-ium-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[3-fluoro-6-[4-(quinolin-1-ium-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine
PubChem CID142560329
Molecular FormulaC19H20FN4O+
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name(NE)-N-[[3-fluoro-6-[4-(quinolin-1-ium-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine
SMILESO/N=C/c1nc(CCCCNc2cc[nH+]c3ccccc23)ccc1F
InChIInChI=1S/C19H19FN4O/c20-16-9-8-14(24-19(16)13-23-25)5-3-4-11-21-18-10-12-22-17-7-2-1-6-15(17)18/h1-2,6-10,12-13,25H,3-5,11H2,(H,21,22)/p+1/b23-13+
InChIKeyUOJQIKZXGRMGTM-YDZHTSKRSA-O
XLogP3.43
TPSA71.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[[3-fluoro-6-[4-(quinolin-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine
CID 138560123
(NZ)-N-[[6-[4-(naphthalen-1-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine
CID 164705272
6-[4-[(7-chloroquinolin-4-yl)amino]butyl]-2-[(E)-hydroxyiminomethyl]pyridin-3-ol
CID 137038269
(NE)-N-[[3-fluoro-6-[4-[[(E)-(2-methylcyclohexen-1-yl)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]butyl]-2-pyridinyl]methylidene]hydroxylamine
CID 138580163
(NE)-N-(quinolin-1-ium-4-ylmethylidene)hydroxylamine;chloride;hydrate
CID 139201239
4-(naphthalen-1-ylamino)butan-1-ol;hydrochloride
CID 139629187
(NE)-N-(quinazolin-4-ylmethylidene)hydroxylamine
CID 136952912
3-(benzo[b][1,10]phenanthrolin-1-ium-7-ylamino)propyl-(2-chloroethyl)azanium
CID 24848196
N'-quinolin-4-ylpentane-1,5-diamine
CID 107323516
N-(acridin-9-ylmethylidene)hydroxylamine
CID 173111257
N-(3-trihydroxysilylpropyl)aniline
CID 140901816
3-hydroxy-6-[4-[(6-methoxyquinolin-4-yl)amino]butyl]pyridine-2-carbaldehyde
CID 139528700

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[3-fluoro-6-[4-(quinolin-1-ium-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[3-fluoro-6-[4-(quinolin-1-ium-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine (CID 142560329) is (NE)-N-[[3-fluoro-6-[4-(quinolin-1-ium-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[3-fluoro-6-[4-(quinolin-1-ium-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[3-fluoro-6-[4-(quinolin-1-ium-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine is O/N=C/c1nc(CCCCNc2cc[nH+]c3ccccc23)ccc1F.
What is the InChIKey of (NE)-N-[[3-fluoro-6-[4-(quinolin-1-ium-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine?
The InChIKey is UOJQIKZXGRMGTM-YDZHTSKRSA-O. The full InChI is InChI=1S/C19H19FN4O/c20-16-9-8-14(24-19(16)13-23-25)5-3-4-11-21-18-10-12-22-17-7-2-1-6-15(17)18/h1-2,6-10,12-13,25H,3-5,11H2,(H,21,22)/p+1/b23-13+.
What are the key properties of (NE)-N-[[3-fluoro-6-[4-(quinolin-1-ium-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine?
(NE)-N-[[3-fluoro-6-[4-(quinolin-1-ium-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine has a molecular weight of 339.39 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[3-fluoro-6-[4-(quinolin-1-ium-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 142560329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).