N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-5-carboxamide

C14H16N4O2 — CID 76951122

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-5-carboxamide
SMILESCN(CCC(N)=NO)C(=O)c1cccc2ncccc12
InChIInChI=1S/C14H16N4O2/c1-18(9-7-13(15)17-20)14(19)11-4-2-6-12-10(11)5-3-8-16-12/h2-6,8,20H,7,9H2,1H3,(H2,15,17)
InChIKeyYMOZYQNJYVZFBT-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.44
Rot. Bonds4

About N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-5-carboxamide

N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-5-carboxamide (PubChem CID 76951122) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-5-carboxamide
PubChem CID76951122
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-5-carboxamide
SMILESCN(CCC(N)=NO)C(=O)c1cccc2ncccc12
InChIInChI=1S/C14H16N4O2/c1-18(9-7-13(15)17-20)14(19)11-4-2-6-12-10(11)5-3-8-16-12/h2-6,8,20H,7,9H2,1H3,(H2,15,17)
InChIKeyYMOZYQNJYVZFBT-UHFFFAOYSA-N
XLogP1.44
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
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-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-8-carboxamide
CID 76951123
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylquinoline-5-carboxamide
CID 76951085
N-[(2Z)-2-amino-2-hydroxyiminoethyl]quinoline-5-carboxamide
CID 62875902
N-(2-aminoethyl)-N-propan-2-ylquinoline-5-carboxamide
CID 55218818
3-[ethyl(quinoline-5-carbonyl)amino]propanoic acid
CID 61008095
N'-hydroxy-2-[methyl(quinolin-5-ylsulfonyl)amino]ethanimidamide
CID 104774115
N-methyl-N-(4-methylphenyl)quinoline-5-carboxamide
CID 60622029
N-(2-bromoethyl)-N-propan-2-ylquinoline-5-carboxamide
CID 80666191
N-(3-aminopropyl)-N-cyclobutylquinoline-5-carboxamide
CID 102873955
N'-hydroxy-3-[methyl(quinolin-6-ylmethyl)amino]propanimidamide
CID 43209669
N-(2-aminoethyl)-N-cyclobutylquinoline-5-carboxamide
CID 102874207
N-(3-amino-4-pyridinyl)-N-methylquinoline-5-carboxamide
CID 62848464

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-5-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-5-carboxamide (CID 76951122) is N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-5-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-5-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-5-carboxamide is CN(CCC(N)=NO)C(=O)c1cccc2ncccc12.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-5-carboxamide?
The InChIKey is YMOZYQNJYVZFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-18(9-7-13(15)17-20)14(19)11-4-2-6-12-10(11)5-3-8-16-12/h2-6,8,20H,7,9H2,1H3,(H2,15,17).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-5-carboxamide?
N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-5-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-5-carboxamide is sourced from PubChem (CID 76951122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).