N-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethylidene]hydroxylamine

C15H14N4O — CID 141370272

IUPACN-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc2ncc(-c3cnn(C)c3)cc2c1
InChIInChI=1S/C15H14N4O/c1-10(18-20)11-3-4-15-12(5-11)6-13(7-16-15)14-8-17-19(2)9-14/h3-9,20H,1-2H3
InChIKeyWBLLKXQEKFCPKD-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.83
Rot. Bonds2

About N-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethylidene]hydroxylamine

N-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethylidene]hydroxylamine (PubChem CID 141370272) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethylidene]hydroxylamine
PubChem CID141370272
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc2ncc(-c3cnn(C)c3)cc2c1
InChIInChI=1S/C15H14N4O/c1-10(18-20)11-3-4-15-12(5-11)6-13(7-16-15)14-8-17-19(2)9-14/h3-9,20H,1-2H3
InChIKeyWBLLKXQEKFCPKD-UHFFFAOYSA-N
XLogP2.83
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethylidene]hydroxylamine (CID 141370272) is N-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethylidene]hydroxylamine is CC(=NO)c1ccc2ncc(-c3cnn(C)c3)cc2c1.
What is the InChIKey of N-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethylidene]hydroxylamine?
The InChIKey is WBLLKXQEKFCPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10(18-20)11-3-4-15-12(5-11)6-13(7-16-15)14-8-17-19(2)9-14/h3-9,20H,1-2H3.
What are the key properties of N-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethylidene]hydroxylamine?
N-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethylidene]hydroxylamine has a molecular weight of 266.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethylidene]hydroxylamine is sourced from PubChem (CID 141370272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).