3-methyl-2-phenylquinoline-4-carbonyl azide

C17H12N4O — CID 139234731

IUPAC3-methyl-2-phenylquinoline-4-carbonyl azide
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N=[N+]=[N-]
InChIInChI=1S/C17H12N4O/c1-11-15(17(22)20-21-18)13-9-5-6-10-14(13)19-16(11)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeySXNLQTZIJBKZSD-UHFFFAOYSA-N
MW288.31 g/mol
LogP4.66
Rot. Bonds2

About 3-methyl-2-phenylquinoline-4-carbonyl azide

3-methyl-2-phenylquinoline-4-carbonyl azide (PubChem CID 139234731) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-methyl-2-phenylquinoline-4-carbonyl azide.

Molecular Properties

Compound Name3-methyl-2-phenylquinoline-4-carbonyl azide
PubChem CID139234731
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name3-methyl-2-phenylquinoline-4-carbonyl azide
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N=[N+]=[N-]
InChIInChI=1S/C17H12N4O/c1-11-15(17(22)20-21-18)13-9-5-6-10-14(13)19-16(11)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeySXNLQTZIJBKZSD-UHFFFAOYSA-N
XLogP4.66
TPSA78.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(diaminomethylidene)-3-methyl-2-phenylquinoline-4-carboxamide
CID 54166006
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
N-tert-butyl-3-methyl-2-phenylquinoline-4-carboxamide
CID 3639952
cyclohexanamine;3-methyl-2-phenylquinoline-4-carboxylic acid
CID 19715596
3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide
CID 3540473
2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092
ethyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]acetate
CID 4525423
(3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone
CID 868745
3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 4079544
N-(2,6-diethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide
CID 3417174
N-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide
CID 4122728
ethane;[N-methanidyl-C-(3-methyl-2-phenylquinolin-4-yl)carbonimidoyl]-methylazanide;bis(yttrium)
CID 159226401

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenylquinoline-4-carbonyl azide?
The IUPAC name of 3-methyl-2-phenylquinoline-4-carbonyl azide (CID 139234731) is 3-methyl-2-phenylquinoline-4-carbonyl azide.
What is the SMILES notation for 3-methyl-2-phenylquinoline-4-carbonyl azide?
The canonical SMILES for 3-methyl-2-phenylquinoline-4-carbonyl azide is Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)N=[N+]=[N-].
What is the InChIKey of 3-methyl-2-phenylquinoline-4-carbonyl azide?
The InChIKey is SXNLQTZIJBKZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c1-11-15(17(22)20-21-18)13-9-5-6-10-14(13)19-16(11)12-7-3-2-4-8-12/h2-10H,1H3.
What are the key properties of 3-methyl-2-phenylquinoline-4-carbonyl azide?
3-methyl-2-phenylquinoline-4-carbonyl azide has a molecular weight of 288.31 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenylquinoline-4-carbonyl azide is sourced from PubChem (CID 139234731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).