N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide

C24H23N5O2 — CID 5433359

IUPACN-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide
SMILESCCn1cc(/C=N\NC(=O)c2cc(-c3ccccc3OC)nc3ccccc23)c(C)n1
InChIInChI=1S/C24H23N5O2/c1-4-29-15-17(16(2)28-29)14-25-27-24(30)20-13-22(19-10-6-8-12-23(19)31-3)26-21-11-7-5-9-18(20)21/h5-15H,4H2,1-3H3,(H,27,30)/b25-14-
InChIKeyPBZSTZGACMTJSK-QFEZKATASA-N
MW413.48 g/mol
LogP4.20
Rot. Bonds6

About N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide

N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 5433359) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide
PubChem CID5433359
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide
SMILESCCn1cc(/C=N\NC(=O)c2cc(-c3ccccc3OC)nc3ccccc23)c(C)n1
InChIInChI=1S/C24H23N5O2/c1-4-29-15-17(16(2)28-29)14-25-27-24(30)20-13-22(19-10-6-8-12-23(19)31-3)26-21-11-7-5-9-18(20)21/h5-15H,4H2,1-3H3,(H,27,30)/b25-14-
InChIKeyPBZSTZGACMTJSK-QFEZKATASA-N
XLogP4.20
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide (CID 5433359) is N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide is CCn1cc(/C=N\NC(=O)c2cc(-c3ccccc3OC)nc3ccccc23)c(C)n1.
What is the InChIKey of N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is PBZSTZGACMTJSK-QFEZKATASA-N. The full InChI is InChI=1S/C24H23N5O2/c1-4-29-15-17(16(2)28-29)14-25-27-24(30)20-13-22(19-10-6-8-12-23(19)31-3)26-21-11-7-5-9-18(20)21/h5-15H,4H2,1-3H3,(H,27,30)/b25-14-.
What are the key properties of N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide?
N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 5433359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).