diaminomethylidene-[(2-phenylquinolin-4-yl)methyl]azanium chloride

C17H17ClN4 — CID 135665653

IUPACdiaminomethylidene-[(2-phenylquinolin-4-yl)methyl]azanium chloride
SMILESNC(N)=[NH+]Cc1cc(-c2ccccc2)nc2ccccc12.[Cl-]
InChIInChI=1S/C17H16N4.ClH/c18-17(19)20-11-13-10-16(12-6-2-1-3-7-12)21-15-9-5-4-8-14(13)15;/h1-10H,11H2,(H4,18,19,20);1H
InChIKeyVUBUVVFUVHFATE-UHFFFAOYSA-N
MW312.80 g/mol
LogP-2.24
Rot. Bonds3

About diaminomethylidene-[(2-phenylquinolin-4-yl)methyl]azanium chloride

diaminomethylidene-[(2-phenylquinolin-4-yl)methyl]azanium chloride (PubChem CID 135665653) has the molecular formula C17H17ClN4 and a molecular weight of 312.80 g/mol. Its IUPAC name is diaminomethylidene-[(2-phenylquinolin-4-yl)methyl]azanium chloride.

Molecular Properties

Compound Namediaminomethylidene-[(2-phenylquinolin-4-yl)methyl]azanium chloride
PubChem CID135665653
Molecular FormulaC17H17ClN4
Molecular Weight312.80 g/mol
Exact Mass312.11
IUPAC Namediaminomethylidene-[(2-phenylquinolin-4-yl)methyl]azanium chloride
SMILESNC(N)=[NH+]Cc1cc(-c2ccccc2)nc2ccccc12.[Cl-]
InChIInChI=1S/C17H16N4.ClH/c18-17(19)20-11-13-10-16(12-6-2-1-3-7-12)21-15-9-5-4-8-14(13)15;/h1-10H,11H2,(H4,18,19,20);1H
InChIKeyVUBUVVFUVHFATE-UHFFFAOYSA-N
XLogP-2.24
TPSA78.90 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 5-2.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2-phenylquinolin-4-yl)methanamine;hydrochloride
CID 82025622
deuterio-(2-phenylquinolin-4-yl)methanol
CID 88591215
2-phenylquinolin-4-amine;hydrochloride
CID 134690731
2-phenylquinolin-4-amine;hydrate
CID 51057793
2-phenyl-4-pyridin-3-ylquinoline
CID 175326570
4-(18F)fluoro-2-phenylquinoline
CID 155642613
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
sodium 2-phenylquinoline-4-carboxylate
CID 23691042
1-(2-methylphenyl)-2-(2-phenylquinolin-4-yl)ethanone
CID 135034333
1-naphthalen-2-yl-2-(2-phenylquinolin-4-yl)ethanone
CID 135034335
2-phenyl-4-phenylmethoxyquinoline
CID 14954067

Frequently Asked Questions

What is the IUPAC name of diaminomethylidene-[(2-phenylquinolin-4-yl)methyl]azanium chloride?
The IUPAC name of diaminomethylidene-[(2-phenylquinolin-4-yl)methyl]azanium chloride (CID 135665653) is diaminomethylidene-[(2-phenylquinolin-4-yl)methyl]azanium chloride.
What is the SMILES notation for diaminomethylidene-[(2-phenylquinolin-4-yl)methyl]azanium chloride?
The canonical SMILES for diaminomethylidene-[(2-phenylquinolin-4-yl)methyl]azanium chloride is NC(N)=[NH+]Cc1cc(-c2ccccc2)nc2ccccc12.[Cl-].
What is the InChIKey of diaminomethylidene-[(2-phenylquinolin-4-yl)methyl]azanium chloride?
The InChIKey is VUBUVVFUVHFATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4.ClH/c18-17(19)20-11-13-10-16(12-6-2-1-3-7-12)21-15-9-5-4-8-14(13)15;/h1-10H,11H2,(H4,18,19,20);1H.
What are the key properties of diaminomethylidene-[(2-phenylquinolin-4-yl)methyl]azanium chloride?
diaminomethylidene-[(2-phenylquinolin-4-yl)methyl]azanium chloride has a molecular weight of 312.80 g/mol, XLogP of -2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylidene-[(2-phenylquinolin-4-yl)methyl]azanium chloride is sourced from PubChem (CID 135665653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).