(3Z)-3-amino-N-(3-bromoquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide

C14H15BrN4O2 — CID 116785323

IUPAC(3Z)-3-amino-N-(3-bromoquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)Nc1cccc2cc(Br)cnc12)/C(N)=N/O
InChIInChI=1S/C14H15BrN4O2/c1-14(2,12(16)19-21)13(20)18-10-5-3-4-8-6-9(15)7-17-11(8)10/h3-7,21H,1-2H3,(H2,16,19)(H,18,20)
InChIKeyPNSLEQOEDGVXCS-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.71
Rot. Bonds3

About (3Z)-3-amino-N-(3-bromoquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide

(3Z)-3-amino-N-(3-bromoquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide (PubChem CID 116785323) has the molecular formula C14H15BrN4O2 and a molecular weight of 351.20 g/mol. Its IUPAC name is (3Z)-3-amino-N-(3-bromoquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-(3-bromoquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide
PubChem CID116785323
Molecular FormulaC14H15BrN4O2
Molecular Weight351.20 g/mol
Exact Mass350.04
IUPAC Name(3Z)-3-amino-N-(3-bromoquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)Nc1cccc2cc(Br)cnc12)/C(N)=N/O
InChIInChI=1S/C14H15BrN4O2/c1-14(2,12(16)19-21)13(20)18-10-5-3-4-8-6-9(15)7-17-11(8)10/h3-7,21H,1-2H3,(H2,16,19)(H,18,20)
InChIKeyPNSLEQOEDGVXCS-UHFFFAOYSA-N
XLogP2.71
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-N-(3-bromoquinolin-8-yl)-2-ethylbutanamide
CID 116784341
N-(3-bromoquinolin-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 116784789
N-(3-bromoquinolin-8-yl)-2-carbamothioyl-3-methylbutanamide
CID 116784582
4-bromo-N-(3-bromoquinolin-8-yl)benzamide
CID 116784626
2-N-(3-bromoquinolin-8-yl)-2-methylbutane-1,2-diamine
CID 116783708
N-(3-bromoquinolin-8-yl)-2-methylcyclopropane-1-carboxamide
CID 116784759
4-amino-N-(3-bromoquinolin-8-yl)-3-methylbutanamide
CID 116784378
(3Z)-3-amino-N-(2-bromo-5-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 82767181
3-amino-N-(2,3-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919749
N-(3-bromoquinolin-8-yl)-2-hydroxybenzamide
CID 116784757
(3Z)-3-amino-N-(2-chloro-3-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 114251779
N-(3-bromoquinolin-8-yl)-3-hydroxypyridine-2-carboxamide
CID 116784767

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-N-(3-bromoquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide?
The IUPAC name of (3Z)-3-amino-N-(3-bromoquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide (CID 116785323) is (3Z)-3-amino-N-(3-bromoquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide.
What is the SMILES notation for (3Z)-3-amino-N-(3-bromoquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide?
The canonical SMILES for (3Z)-3-amino-N-(3-bromoquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide is CC(C)(C(=O)Nc1cccc2cc(Br)cnc12)/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-N-(3-bromoquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide?
The InChIKey is PNSLEQOEDGVXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O2/c1-14(2,12(16)19-21)13(20)18-10-5-3-4-8-6-9(15)7-17-11(8)10/h3-7,21H,1-2H3,(H2,16,19)(H,18,20).
What are the key properties of (3Z)-3-amino-N-(3-bromoquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide?
(3Z)-3-amino-N-(3-bromoquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide has a molecular weight of 351.20 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-N-(3-bromoquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide is sourced from PubChem (CID 116785323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).