4-(3-carbonazidoyl-2-methoxynaphthalen-1-yl)-3-methoxynaphthalene-2-carbonyl azide

C24H16N6O4 — CID 16742235

IUPAC4-(3-carbonazidoyl-2-methoxynaphthalen-1-yl)-3-methoxynaphthalene-2-carbonyl azide
SMILESCOc1c(C(=O)N=[N+]=[N-])cc2ccccc2c1-c1c(OC)c(C(=O)N=[N+]=[N-])cc2ccccc12
InChIInChI=1S/C24H16N6O4/c1-33-21-17(23(31)27-29-25)11-13-7-3-5-9-15(13)19(21)20-16-10-6-4-8-14(16)12-18(22(20)34-2)24(32)28-30-26/h3-12H,1-2H3
InChIKeyIMMOIZNOOHDADJ-UHFFFAOYSA-N
MW452.43 g/mol
LogP6.58
Rot. Bonds5

About 4-(3-carbonazidoyl-2-methoxynaphthalen-1-yl)-3-methoxynaphthalene-2-carbonyl azide

4-(3-carbonazidoyl-2-methoxynaphthalen-1-yl)-3-methoxynaphthalene-2-carbonyl azide (PubChem CID 16742235) has the molecular formula C24H16N6O4 and a molecular weight of 452.43 g/mol. Its IUPAC name is 4-(3-carbonazidoyl-2-methoxynaphthalen-1-yl)-3-methoxynaphthalene-2-carbonyl azide.

Molecular Properties

Compound Name4-(3-carbonazidoyl-2-methoxynaphthalen-1-yl)-3-methoxynaphthalene-2-carbonyl azide
PubChem CID16742235
Molecular FormulaC24H16N6O4
Molecular Weight452.43 g/mol
Exact Mass452.12
IUPAC Name4-(3-carbonazidoyl-2-methoxynaphthalen-1-yl)-3-methoxynaphthalene-2-carbonyl azide
SMILESCOc1c(C(=O)N=[N+]=[N-])cc2ccccc2c1-c1c(OC)c(C(=O)N=[N+]=[N-])cc2ccccc12
InChIInChI=1S/C24H16N6O4/c1-33-21-17(23(31)27-29-25)11-13-7-3-5-9-15(13)19(21)20-16-10-6-4-8-14(16)12-18(22(20)34-2)24(32)28-30-26/h3-12H,1-2H3
InChIKeyIMMOIZNOOHDADJ-UHFFFAOYSA-N
XLogP6.58
TPSA150.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.43
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 10905491
1-(2,3-dimethoxynaphthalen-1-yl)-4-[4-[4-[4-[4-[4-(2,3-dimethoxynaphthalen-1-yl)-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalene
CID 102019300
anthracene-2-carbonyl azide
CID 102488485
2-methoxy-5-methylsulfonylbenzoyl azide
CID 71381109
4-hydroxy-3,4-dihydro-2H-benzo[h]chromene-6-carbonyl azide
CID 142821860
benzo[c]phenanthrene-5-carbonylimino(imino)azanium
CID 6332438
3-methyl-2-phenylquinoline-4-carbonyl azide
CID 139234731
1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide
CID 146591530
benzoyl azide;hydrochloride
CID 174620684
9-(2-diazopropanoyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
CID 54167444
3-methoxyphenanthrene-2-carboxylic acid
CID 44721157
2-methoxy-5-phenylbenzene-1,3-dicarboxylic acid
CID 117100492

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbonazidoyl-2-methoxynaphthalen-1-yl)-3-methoxynaphthalene-2-carbonyl azide?
The IUPAC name of 4-(3-carbonazidoyl-2-methoxynaphthalen-1-yl)-3-methoxynaphthalene-2-carbonyl azide (CID 16742235) is 4-(3-carbonazidoyl-2-methoxynaphthalen-1-yl)-3-methoxynaphthalene-2-carbonyl azide.
What is the SMILES notation for 4-(3-carbonazidoyl-2-methoxynaphthalen-1-yl)-3-methoxynaphthalene-2-carbonyl azide?
The canonical SMILES for 4-(3-carbonazidoyl-2-methoxynaphthalen-1-yl)-3-methoxynaphthalene-2-carbonyl azide is COc1c(C(=O)N=[N+]=[N-])cc2ccccc2c1-c1c(OC)c(C(=O)N=[N+]=[N-])cc2ccccc12.
What is the InChIKey of 4-(3-carbonazidoyl-2-methoxynaphthalen-1-yl)-3-methoxynaphthalene-2-carbonyl azide?
The InChIKey is IMMOIZNOOHDADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N6O4/c1-33-21-17(23(31)27-29-25)11-13-7-3-5-9-15(13)19(21)20-16-10-6-4-8-14(16)12-18(22(20)34-2)24(32)28-30-26/h3-12H,1-2H3.
What are the key properties of 4-(3-carbonazidoyl-2-methoxynaphthalen-1-yl)-3-methoxynaphthalene-2-carbonyl azide?
4-(3-carbonazidoyl-2-methoxynaphthalen-1-yl)-3-methoxynaphthalene-2-carbonyl azide has a molecular weight of 452.43 g/mol, XLogP of 6.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbonazidoyl-2-methoxynaphthalen-1-yl)-3-methoxynaphthalene-2-carbonyl azide is sourced from PubChem (CID 16742235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).