N-[(2Z)-2-amino-2-hydroxyiminoethyl]quinoline-5-carboxamide

C12H12N4O2 — CID 62875902

IUPACN-[(2Z)-2-amino-2-hydroxyiminoethyl]quinoline-5-carboxamide
SMILESN/C(CNC(=O)c1cccc2ncccc12)=N\O
InChIInChI=1S/C12H12N4O2/c13-11(16-18)7-15-12(17)9-3-1-5-10-8(9)4-2-6-14-10/h1-6,18H,7H2,(H2,13,16)(H,15,17)
InChIKeyDPTLTGOVDCWCCT-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.71
Rot. Bonds3

About N-[(2Z)-2-amino-2-hydroxyiminoethyl]quinoline-5-carboxamide

N-[(2Z)-2-amino-2-hydroxyiminoethyl]quinoline-5-carboxamide (PubChem CID 62875902) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-[(2Z)-2-amino-2-hydroxyiminoethyl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[(2Z)-2-amino-2-hydroxyiminoethyl]quinoline-5-carboxamide
PubChem CID62875902
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC NameN-[(2Z)-2-amino-2-hydroxyiminoethyl]quinoline-5-carboxamide
SMILESN/C(CNC(=O)c1cccc2ncccc12)=N\O
InChIInChI=1S/C12H12N4O2/c13-11(16-18)7-15-12(17)9-3-1-5-10-8(9)4-2-6-14-10/h1-6,18H,7H2,(H2,13,16)(H,15,17)
InChIKeyDPTLTGOVDCWCCT-UHFFFAOYSA-N
XLogP0.71
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.71
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

N-[(4-aminophenyl)methyl]quinoline-5-carboxamide
CID 62849516
N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-5-carboxamide
CID 76951122
N-(2-amino-2-oxoethoxy)quinoline-5-carboxamide
CID 112550935
N-(2-azidoethyl)quinoline-5-carboxamide
CID 55126604
N-[(1-hydroxycyclobutyl)methyl]quinoline-5-carboxamide
CID 115668807
N-(3-bromo-2,2-dimethylpropyl)quinoline-5-carboxamide
CID 115364916
N-(3-methoxypropyl)quinoline-5-carboxamide
CID 51075711
N-[3-(2-aminoethoxy)propyl]quinoline-5-carboxamide
CID 106307791
N-(2-amino-2-cyclopropylethyl)quinoline-5-carboxamide;dihydrochloride
CID 75420130
1-ethyl-3-(quinoline-5-carbonylamino)urea
CID 75417515
N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide
CID 62848806
N-(2,2-diethoxyethyl)quinoline-5-carboxamide
CID 79538723

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-amino-2-hydroxyiminoethyl]quinoline-5-carboxamide?
The IUPAC name of N-[(2Z)-2-amino-2-hydroxyiminoethyl]quinoline-5-carboxamide (CID 62875902) is N-[(2Z)-2-amino-2-hydroxyiminoethyl]quinoline-5-carboxamide.
What is the SMILES notation for N-[(2Z)-2-amino-2-hydroxyiminoethyl]quinoline-5-carboxamide?
The canonical SMILES for N-[(2Z)-2-amino-2-hydroxyiminoethyl]quinoline-5-carboxamide is N/C(CNC(=O)c1cccc2ncccc12)=N\O.
What is the InChIKey of N-[(2Z)-2-amino-2-hydroxyiminoethyl]quinoline-5-carboxamide?
The InChIKey is DPTLTGOVDCWCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c13-11(16-18)7-15-12(17)9-3-1-5-10-8(9)4-2-6-14-10/h1-6,18H,7H2,(H2,13,16)(H,15,17).
What are the key properties of N-[(2Z)-2-amino-2-hydroxyiminoethyl]quinoline-5-carboxamide?
N-[(2Z)-2-amino-2-hydroxyiminoethyl]quinoline-5-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-amino-2-hydroxyiminoethyl]quinoline-5-carboxamide is sourced from PubChem (CID 62875902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).