4-[[(2-aminoquinolin-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide

C17H17N5O — CID 154039588

IUPAC4-[[(2-aminoquinolin-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(CNc2cc(N)nc3ccccc23)cc1
InChIInChI=1S/C17H17N5O/c18-16-9-15(13-3-1-2-4-14(13)21-16)20-10-11-5-7-12(8-6-11)17(19)22-23/h1-9,23H,10H2,(H2,19,22)(H3,18,20,21)
InChIKeyDYNWBQMTHJARCN-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.52
Rot. Bonds4

About 4-[[(2-aminoquinolin-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide

4-[[(2-aminoquinolin-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 154039588) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 4-[[(2-aminoquinolin-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[[(2-aminoquinolin-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID154039588
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name4-[[(2-aminoquinolin-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(CNc2cc(N)nc3ccccc23)cc1
InChIInChI=1S/C17H17N5O/c18-16-9-15(13-3-1-2-4-14(13)21-16)20-10-11-5-7-12(8-6-11)17(19)22-23/h1-9,23H,10H2,(H2,19,22)(H3,18,20,21)
InChIKeyDYNWBQMTHJARCN-UHFFFAOYSA-N
XLogP2.52
TPSA109.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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'}

Analyze 4-[[(2-aminoquinolin-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide with MolForge

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Related Compounds

4-(anilinomethyl)-N'-hydroxybenzenecarboximidamide
CID 77025269
4-[2-(2-aminoquinolin-4-yl)ethynyl]-N'-hydroxybenzenecarboximidamide
CID 138724514
4-[(2,5-dibromoanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77032919
4-[(2-chloro-4-iodoanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 107606996
4-[(5-bromo-2-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77030275
4-N-benzyl-1,5-naphthyridine-2,4-diamine
CID 91308709
4-[(3-bromoanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77026847
4-[[4-(methylaminomethyl)phenyl]methyl]quinolin-2-amine
CID 138645350
4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide
CID 137305799
N-[(4-ethylphenyl)methyl]-2-methylquinolin-4-amine
CID 106900074
2-(2-aminoquinolin-4-yl)-N'-hydroxy-1,3-benzoxazole-6-carboximidamide
CID 148767830
4-[(cinnolin-4-ylamino)methyl]benzoic acid
CID 63587099

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-aminoquinolin-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[[(2-aminoquinolin-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide (CID 154039588) is 4-[[(2-aminoquinolin-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[[(2-aminoquinolin-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[[(2-aminoquinolin-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(CNc2cc(N)nc3ccccc23)cc1.
What is the InChIKey of 4-[[(2-aminoquinolin-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is DYNWBQMTHJARCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c18-16-9-15(13-3-1-2-4-14(13)21-16)20-10-11-5-7-12(8-6-11)17(19)22-23/h1-9,23H,10H2,(H2,19,22)(H3,18,20,21).
What are the key properties of 4-[[(2-aminoquinolin-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
4-[[(2-aminoquinolin-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 307.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-aminoquinolin-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 154039588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).