2-(3,4-dimethylphenyl)-N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]quinoline-4-carboxamide

C24H23N5O — CID 5455026

IUPAC2-(3,4-dimethylphenyl)-N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N/N=C\c3cnn(C)c3C)c3ccccc3n2)cc1C
InChIInChI=1S/C24H23N5O/c1-15-9-10-18(11-16(15)2)23-12-21(20-7-5-6-8-22(20)27-23)24(30)28-25-13-19-14-26-29(4)17(19)3/h5-14H,1-4H3,(H,28,30)/b25-13-
InChIKeyXMYMSJOTLQWCPD-MXAYSNPKSA-N
MW397.48 g/mol
LogP4.32
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]quinoline-4-carboxamide

2-(3,4-dimethylphenyl)-N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]quinoline-4-carboxamide (PubChem CID 5455026) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]quinoline-4-carboxamide
PubChem CID5455026
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name2-(3,4-dimethylphenyl)-N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N/N=C\c3cnn(C)c3C)c3ccccc3n2)cc1C
InChIInChI=1S/C24H23N5O/c1-15-9-10-18(11-16(15)2)23-12-21(20-7-5-6-8-22(20)27-23)24(30)28-25-13-19-14-26-29(4)17(19)3/h5-14H,1-4H3,(H,28,30)/b25-13-
InChIKeyXMYMSJOTLQWCPD-MXAYSNPKSA-N
XLogP4.32
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-(3,4-dimethylphenyl)-N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]quinoline-4-carboxamide (CID 5455026) is 2-(3,4-dimethylphenyl)-N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)N/N=C\c3cnn(C)c3C)c3ccccc3n2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]quinoline-4-carboxamide?
The InChIKey is XMYMSJOTLQWCPD-MXAYSNPKSA-N. The full InChI is InChI=1S/C24H23N5O/c1-15-9-10-18(11-16(15)2)23-12-21(20-7-5-6-8-22(20)27-23)24(30)28-25-13-19-14-26-29(4)17(19)3/h5-14H,1-4H3,(H,28,30)/b25-13-.
What are the key properties of 2-(3,4-dimethylphenyl)-N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]quinoline-4-carboxamide?
2-(3,4-dimethylphenyl)-N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]quinoline-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 5455026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).