6-bromo-2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]quinoline-4-carbohydrazide

C19H14BrN7O2 — CID 60621522

IUPAC6-bromo-2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]quinoline-4-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c2cc(Br)ccc2n1
InChIInChI=1S/C19H14BrN7O2/c1-11-8-16(15-9-13(20)4-7-17(15)22-11)19(29)24-23-18(28)12-2-5-14(6-3-12)27-10-21-25-26-27/h2-10H,1H3,(H,23,28)(H,24,29)
InChIKeyJUPRYYCPOKKDSU-UHFFFAOYSA-N
MW452.27 g/mol
LogP2.36
Rot. Bonds3

About 6-bromo-2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]quinoline-4-carbohydrazide

6-bromo-2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]quinoline-4-carbohydrazide (PubChem CID 60621522) has the molecular formula C19H14BrN7O2 and a molecular weight of 452.27 g/mol. Its IUPAC name is 6-bromo-2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]quinoline-4-carbohydrazide.

Molecular Properties

Compound Name6-bromo-2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]quinoline-4-carbohydrazide
PubChem CID60621522
Molecular FormulaC19H14BrN7O2
Molecular Weight452.27 g/mol
Exact Mass451.04
IUPAC Name6-bromo-2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]quinoline-4-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c2cc(Br)ccc2n1
InChIInChI=1S/C19H14BrN7O2/c1-11-8-16(15-9-13(20)4-7-17(15)22-11)19(29)24-23-18(28)12-2-5-14(6-3-12)27-10-21-25-26-27/h2-10H,1H3,(H,23,28)(H,24,29)
InChIKeyJUPRYYCPOKKDSU-UHFFFAOYSA-N
XLogP2.36
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.27
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]quinoline-4-carboxamide
CID 18079833
2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
CID 30878039
6-fluoro-N'-(4-fluorobenzoyl)-2-methylquinoline-4-carbohydrazide
CID 4732337
6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
CID 46291474
3,4-diethoxy-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
CID 30879445
5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 40622208
4-methyl-2-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide
CID 29491918
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
(6-bromo-2-methylquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560432
N'-(2-naphthalen-2-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide
CID 31540991
4-methyl-2-propyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide
CID 60551181
5-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carbohydrazide
CID 39429005

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]quinoline-4-carbohydrazide?
The IUPAC name of 6-bromo-2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]quinoline-4-carbohydrazide (CID 60621522) is 6-bromo-2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]quinoline-4-carbohydrazide.
What is the SMILES notation for 6-bromo-2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]quinoline-4-carbohydrazide?
The canonical SMILES for 6-bromo-2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]quinoline-4-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]quinoline-4-carbohydrazide?
The InChIKey is JUPRYYCPOKKDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN7O2/c1-11-8-16(15-9-13(20)4-7-17(15)22-11)19(29)24-23-18(28)12-2-5-14(6-3-12)27-10-21-25-26-27/h2-10H,1H3,(H,23,28)(H,24,29).
What are the key properties of 6-bromo-2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]quinoline-4-carbohydrazide?
6-bromo-2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]quinoline-4-carbohydrazide has a molecular weight of 452.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]quinoline-4-carbohydrazide is sourced from PubChem (CID 60621522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).