(3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide

C14H15ClN4O2 — CID 116785318

IUPAC(3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(Cl)c2cccnc12)/C(N)=N/O
InChIInChI=1S/C14H15ClN4O2/c1-14(2,12(16)19-21)13(20)18-10-6-5-9(15)8-4-3-7-17-11(8)10/h3-7,21H,1-2H3,(H2,16,19)(H,18,20)
InChIKeyBROAZFRRXCWKIQ-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.60
Rot. Bonds3

About (3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide

(3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide (PubChem CID 116785318) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is (3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide
PubChem CID116785318
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name(3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(Cl)c2cccnc12)/C(N)=N/O
InChIInChI=1S/C14H15ClN4O2/c1-14(2,12(16)19-21)13(20)18-10-6-5-9(15)8-4-3-7-17-11(8)10/h3-7,21H,1-2H3,(H2,16,19)(H,18,20)
InChIKeyBROAZFRRXCWKIQ-UHFFFAOYSA-N
XLogP2.60
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.60
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

3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide
CID 65269986
3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide
CID 63680758
(3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2-methylpropanamide
CID 116785317
3-amino-N-(3,4-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76920661
3-amino-N-(2,6-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 77069753
3-[(5-chloroquinolin-8-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 116783958
6-chloro-N-(5-chloroquinolin-8-yl)pyridazine-3-carboxamide
CID 61041185
5-[(5-chloroquinolin-8-yl)amino]-N'-hydroxypentanimidamide
CID 116784971
2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965
2-amino-N-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethyl]acetamide
CID 60928298
2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide
CID 60928670
3-amino-N-(5-chloro-2-fluorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919373

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide?
The IUPAC name of (3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide (CID 116785318) is (3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide.
What is the SMILES notation for (3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide?
The canonical SMILES for (3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide is CC(C)(C(=O)Nc1ccc(Cl)c2cccnc12)/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide?
The InChIKey is BROAZFRRXCWKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-14(2,12(16)19-21)13(20)18-10-6-5-9(15)8-4-3-7-17-11(8)10/h3-7,21H,1-2H3,(H2,16,19)(H,18,20).
What are the key properties of (3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide?
(3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide has a molecular weight of 306.75 g/mol, XLogP of 2.60, 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-(5-chloroquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide is sourced from PubChem (CID 116785318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).