(NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[2-[4-(1,2,4-triazol-1-yl)phenoxy]-3-pyridinyl]methylidene]hydroxylamine

C23H20N6O2 — CID 56658069

IUPAC(NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[2-[4-(1,2,4-triazol-1-yl)phenoxy]-3-pyridinyl]methylidene]hydroxylamine
SMILESO/N=C(/c1cccnc1Oc1ccc(-n2cncn2)cc1)N1CCCc2ccccc21
InChIInChI=1S/C23H20N6O2/c30-27-22(28-14-4-6-17-5-1-2-8-21(17)28)20-7-3-13-25-23(20)31-19-11-9-18(10-12-19)29-16-24-15-26-29/h1-3,5,7-13,15-16,30H,4,6,14H2/b27-22-
InChIKeyUIYDNQJIBGFBRS-QYQHSDTDSA-N
MW412.45 g/mol
LogP4.04
Rot. Bonds4

About (NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[2-[4-(1,2,4-triazol-1-yl)phenoxy]-3-pyridinyl]methylidene]hydroxylamine

(NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[2-[4-(1,2,4-triazol-1-yl)phenoxy]-3-pyridinyl]methylidene]hydroxylamine (PubChem CID 56658069) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is (NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[2-[4-(1,2,4-triazol-1-yl)phenoxy]-3-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[2-[4-(1,2,4-triazol-1-yl)phenoxy]-3-pyridinyl]methylidene]hydroxylamine
PubChem CID56658069
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC Name(NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[2-[4-(1,2,4-triazol-1-yl)phenoxy]-3-pyridinyl]methylidene]hydroxylamine
SMILESO/N=C(/c1cccnc1Oc1ccc(-n2cncn2)cc1)N1CCCc2ccccc21
InChIInChI=1S/C23H20N6O2/c30-27-22(28-14-4-6-17-5-1-2-8-21(17)28)20-7-3-13-25-23(20)31-19-11-9-18(10-12-19)29-16-24-15-26-29/h1-3,5,7-13,15-16,30H,4,6,14H2/b27-22-
InChIKeyUIYDNQJIBGFBRS-QYQHSDTDSA-N
XLogP4.04
TPSA88.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[2-[4-(1,2,4-triazol-1-yl)phenoxy]-3-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[2-[4-(1,2,4-triazol-1-yl)phenoxy]-3-pyridinyl]methylidene]hydroxylamine (CID 56658069) is (NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[2-[4-(1,2,4-triazol-1-yl)phenoxy]-3-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[2-[4-(1,2,4-triazol-1-yl)phenoxy]-3-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[2-[4-(1,2,4-triazol-1-yl)phenoxy]-3-pyridinyl]methylidene]hydroxylamine is O/N=C(/c1cccnc1Oc1ccc(-n2cncn2)cc1)N1CCCc2ccccc21.
What is the InChIKey of (NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[2-[4-(1,2,4-triazol-1-yl)phenoxy]-3-pyridinyl]methylidene]hydroxylamine?
The InChIKey is UIYDNQJIBGFBRS-QYQHSDTDSA-N. The full InChI is InChI=1S/C23H20N6O2/c30-27-22(28-14-4-6-17-5-1-2-8-21(17)28)20-7-3-13-25-23(20)31-19-11-9-18(10-12-19)29-16-24-15-26-29/h1-3,5,7-13,15-16,30H,4,6,14H2/b27-22-.
What are the key properties of (NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[2-[4-(1,2,4-triazol-1-yl)phenoxy]-3-pyridinyl]methylidene]hydroxylamine?
(NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[2-[4-(1,2,4-triazol-1-yl)phenoxy]-3-pyridinyl]methylidene]hydroxylamine has a molecular weight of 412.45 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[2-[4-(1,2,4-triazol-1-yl)phenoxy]-3-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 56658069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).