N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,3-dimethylbenzohydrazide

C25H25N3O2 — CID 139690669

IUPACN-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,3-dimethylbenzohydrazide
SMILESCc1cccc(C(=O)N(N)c2ccc(C(=O)N3CCCc4ccccc43)cc2)c1C
InChIInChI=1S/C25H25N3O2/c1-17-7-5-10-22(18(17)2)25(30)28(26)21-14-12-20(13-15-21)24(29)27-16-6-9-19-8-3-4-11-23(19)27/h3-5,7-8,10-15H,6,9,16,26H2,1-2H3
InChIKeyWKQCIBRRFCMXFS-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.42
Rot. Bonds3

About N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,3-dimethylbenzohydrazide

N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,3-dimethylbenzohydrazide (PubChem CID 139690669) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,3-dimethylbenzohydrazide.

Molecular Properties

Compound NameN-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,3-dimethylbenzohydrazide
PubChem CID139690669
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,3-dimethylbenzohydrazide
SMILESCc1cccc(C(=O)N(N)c2ccc(C(=O)N3CCCc4ccccc43)cc2)c1C
InChIInChI=1S/C25H25N3O2/c1-17-7-5-10-22(18(17)2)25(30)28(26)21-14-12-20(13-15-21)24(29)27-16-6-9-19-8-3-4-11-23(19)27/h3-5,7-8,10-15H,6,9,16,26H2,1-2H3
InChIKeyWKQCIBRRFCMXFS-UHFFFAOYSA-N
XLogP4.42
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
CID 47097545
N-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]-2,3-dimethylbenzamide
CID 139690677
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
CID 82829947
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
(4-aminophenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 10587836
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
[4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43333292
3,4-dihydro-2H-quinolin-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone
CID 109242545
(4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 67839485

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,3-dimethylbenzohydrazide?
The IUPAC name of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,3-dimethylbenzohydrazide (CID 139690669) is N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,3-dimethylbenzohydrazide.
What is the SMILES notation for N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,3-dimethylbenzohydrazide?
The canonical SMILES for N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,3-dimethylbenzohydrazide is Cc1cccc(C(=O)N(N)c2ccc(C(=O)N3CCCc4ccccc43)cc2)c1C.
What is the InChIKey of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,3-dimethylbenzohydrazide?
The InChIKey is WKQCIBRRFCMXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-17-7-5-10-22(18(17)2)25(30)28(26)21-14-12-20(13-15-21)24(29)27-16-6-9-19-8-3-4-11-23(19)27/h3-5,7-8,10-15H,6,9,16,26H2,1-2H3.
What are the key properties of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,3-dimethylbenzohydrazide?
N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,3-dimethylbenzohydrazide has a molecular weight of 399.49 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,3-dimethylbenzohydrazide is sourced from PubChem (CID 139690669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).