2,8-dimethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]quinoline-3-carboxamide

C22H23N3O — CID 5411539

IUPAC2,8-dimethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]quinoline-3-carboxamide
SMILESCc1nc2c(C)cccc2cc1C(=O)N/N=C\c1ccc(C(C)C)cc1
InChIInChI=1S/C22H23N3O/c1-14(2)18-10-8-17(9-11-18)13-23-25-22(26)20-12-19-7-5-6-15(3)21(19)24-16(20)4/h5-14H,1-4H3,(H,25,26)/b23-13-
InChIKeyHKLUGIJOVGMTIP-QRVIBDJDSA-N
MW345.45 g/mol
LogP4.74
Rot. Bonds4

About 2,8-dimethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]quinoline-3-carboxamide

2,8-dimethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]quinoline-3-carboxamide (PubChem CID 5411539) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 2,8-dimethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]quinoline-3-carboxamide.

Molecular Properties

Compound Name2,8-dimethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]quinoline-3-carboxamide
PubChem CID5411539
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name2,8-dimethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]quinoline-3-carboxamide
SMILESCc1nc2c(C)cccc2cc1C(=O)N/N=C\c1ccc(C(C)C)cc1
InChIInChI=1S/C22H23N3O/c1-14(2)18-10-8-17(9-11-18)13-23-25-22(26)20-12-19-7-5-6-15(3)21(19)24-16(20)4/h5-14H,1-4H3,(H,25,26)/b23-13-
InChIKeyHKLUGIJOVGMTIP-QRVIBDJDSA-N
XLogP4.74
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

2,6-dimethyl-3-N,5-N-bis[(4-propan-2-ylphenyl)methylideneamino]pyridine-3,5-dicarboxamide
CID 5111295
2,8-dimethyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]quinoline-3-carboxamide
CID 135435758
3-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 916412
3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 51056371
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-3-carboxamide
CID 6110691
6-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 694638
1-(2-methylphenyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
CID 5420664
3-N,5-N-bis[(3-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 4860648
2-benzyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526685
N-(2-methylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide
CID 3655252
2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 5405615
3-nitro-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 5406628

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]quinoline-3-carboxamide?
The IUPAC name of 2,8-dimethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]quinoline-3-carboxamide (CID 5411539) is 2,8-dimethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]quinoline-3-carboxamide.
What is the SMILES notation for 2,8-dimethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]quinoline-3-carboxamide?
The canonical SMILES for 2,8-dimethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]quinoline-3-carboxamide is Cc1nc2c(C)cccc2cc1C(=O)N/N=C\c1ccc(C(C)C)cc1.
What is the InChIKey of 2,8-dimethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]quinoline-3-carboxamide?
The InChIKey is HKLUGIJOVGMTIP-QRVIBDJDSA-N. The full InChI is InChI=1S/C22H23N3O/c1-14(2)18-10-8-17(9-11-18)13-23-25-22(26)20-12-19-7-5-6-15(3)21(19)24-16(20)4/h5-14H,1-4H3,(H,25,26)/b23-13-.
What are the key properties of 2,8-dimethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]quinoline-3-carboxamide?
2,8-dimethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]quinoline-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]quinoline-3-carboxamide is sourced from PubChem (CID 5411539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).