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

C19H19FN4O — CID 138560123

IUPAC(NZ)-N-[[3-fluoro-6-[4-(quinolin-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine
SMILESO/N=C\c1nc(CCCCNc2ccnc3ccccc23)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)/b23-13-
InChIKeyUOJQIKZXGRMGTM-QRVIBDJDSA-N
MW338.39 g/mol
LogP4.01
Rot. Bonds7

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

(NZ)-N-[[3-fluoro-6-[4-(quinolin-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine (PubChem CID 138560123) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is (NZ)-N-[[3-fluoro-6-[4-(quinolin-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[3-fluoro-6-[4-(quinolin-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine
PubChem CID138560123
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name(NZ)-N-[[3-fluoro-6-[4-(quinolin-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine
SMILESO/N=C\c1nc(CCCCNc2ccnc3ccccc23)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)/b23-13-
InChIKeyUOJQIKZXGRMGTM-QRVIBDJDSA-N
XLogP4.01
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(NE)-N-[[3-fluoro-6-[4-(quinolin-1-ium-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine
CID 142560329
6-[4-[(7-chloroquinolin-4-yl)amino]butyl]-2-[(E)-hydroxyiminomethyl]pyridin-3-ol
CID 137038269
N'-quinolin-4-ylpentane-1,5-diamine
CID 107323516
N-(5-chloropentyl)quinolin-4-amine
CID 107320544
(NZ)-N-[[6-[4-(naphthalen-1-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine
CID 164705272
(NE)-N-[(3-fluoro-6-propyl-2-pyridinyl)methylidene]hydroxylamine
CID 155051634
3-hydroxy-6-[4-[(6-methoxyquinolin-4-yl)amino]butyl]pyridine-2-carbaldehyde
CID 139528700
methyl 6-(quinolin-4-ylamino)hexanoate
CID 62005474
(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
N-methyl-N'-quinolin-4-ylethane-1,2-diamine
CID 62658935
N-[2-(2-methylphenyl)ethyl]quinolin-4-amine
CID 79755193
N-ethylquinolin-4-amine
CID 15306588

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[3-fluoro-6-[4-(quinolin-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[3-fluoro-6-[4-(quinolin-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine (CID 138560123) is (NZ)-N-[[3-fluoro-6-[4-(quinolin-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[3-fluoro-6-[4-(quinolin-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[3-fluoro-6-[4-(quinolin-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine is O/N=C\c1nc(CCCCNc2ccnc3ccccc23)ccc1F.
What is the InChIKey of (NZ)-N-[[3-fluoro-6-[4-(quinolin-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine?
The InChIKey is UOJQIKZXGRMGTM-QRVIBDJDSA-N. 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)/b23-13-.
What are the key properties of (NZ)-N-[[3-fluoro-6-[4-(quinolin-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine?
(NZ)-N-[[3-fluoro-6-[4-(quinolin-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine has a molecular weight of 338.39 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[3-fluoro-6-[4-(quinolin-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 138560123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).