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

C23H21N5O2 — CID 5433358

IUPACN-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)N/N=C\c2cn(C)nc2C)c2ccccc2n1
InChIInChI=1S/C23H21N5O2/c1-15-16(14-28(2)27-15)13-24-26-23(29)19-12-21(18-9-5-7-11-22(18)30-3)25-20-10-6-4-8-17(19)20/h4-14H,1-3H3,(H,26,29)/b24-13-
InChIKeyZCOOWZCPYHOYCW-CFRMEGHHSA-N
MW399.45 g/mol
LogP3.72
Rot. Bonds5

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

N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 5433358) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide
PubChem CID5433358
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)N/N=C\c2cn(C)nc2C)c2ccccc2n1
InChIInChI=1S/C23H21N5O2/c1-15-16(14-28(2)27-15)13-24-26-23(29)19-12-21(18-9-5-7-11-22(18)30-3)25-20-10-6-4-8-17(19)20/h4-14H,1-3H3,(H,26,29)/b24-13-
InChIKeyZCOOWZCPYHOYCW-CFRMEGHHSA-N
XLogP3.72
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.72
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)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide (CID 5433358) is N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide is COc1ccccc1-c1cc(C(=O)N/N=C\c2cn(C)nc2C)c2ccccc2n1.
What is the InChIKey of N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is ZCOOWZCPYHOYCW-CFRMEGHHSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-15-16(14-28(2)27-15)13-24-26-23(29)19-12-21(18-9-5-7-11-22(18)30-3)25-20-10-6-4-8-17(19)20/h4-14H,1-3H3,(H,26,29)/b24-13-.
What are the key properties of N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide?
N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 5433358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).