1-[(7-fluoroquinolin-6-yl)methylideneamino]-4-methylimidazol-2-amine

C14H12FN5 — CID 168629682

IUPAC1-[(7-fluoroquinolin-6-yl)methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2cc3cccnc3cc2F)c(N)n1
InChIInChI=1S/C14H12FN5/c1-9-8-20(14(16)19-9)18-7-11-5-10-3-2-4-17-13(10)6-12(11)15/h2-8H,1H3,(H2,16,19)
InChIKeyRGFLOBUSBFROCO-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.34
Rot. Bonds2

About 1-[(7-fluoroquinolin-6-yl)methylideneamino]-4-methylimidazol-2-amine

1-[(7-fluoroquinolin-6-yl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168629682) has the molecular formula C14H12FN5 and a molecular weight of 269.28 g/mol. Its IUPAC name is 1-[(7-fluoroquinolin-6-yl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(7-fluoroquinolin-6-yl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168629682
Molecular FormulaC14H12FN5
Molecular Weight269.28 g/mol
Exact Mass269.11
IUPAC Name1-[(7-fluoroquinolin-6-yl)methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2cc3cccnc3cc2F)c(N)n1
InChIInChI=1S/C14H12FN5/c1-9-8-20(14(16)19-9)18-7-11-5-10-3-2-4-17-13(10)6-12(11)15/h2-8H,1H3,(H2,16,19)
InChIKeyRGFLOBUSBFROCO-UHFFFAOYSA-N
XLogP2.34
TPSA69.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628497
1-[(5-bromo-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168600756
1-[(3-bromo-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630140
1-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168629406
1-[(3-chloro-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628790
6-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-bromo-3-fluorophenol
CID 168631311
4-methyl-1-[(3-methylbenzimidazol-5-yl)methylideneamino]imidazol-2-amine
CID 168629653
1-[(2-bromo-5-fluoro-4-nitrophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631357
1-[(4-chloro-2,5-dimethylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168629507
1-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628758
3-(7-fluoroquinolin-6-yl)prop-2-enamide
CID 169482434
1-[(2-cyclopropylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168629566

Frequently Asked Questions

What is the IUPAC name of 1-[(7-fluoroquinolin-6-yl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(7-fluoroquinolin-6-yl)methylideneamino]-4-methylimidazol-2-amine (CID 168629682) is 1-[(7-fluoroquinolin-6-yl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(7-fluoroquinolin-6-yl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(7-fluoroquinolin-6-yl)methylideneamino]-4-methylimidazol-2-amine is Cc1cn(N=Cc2cc3cccnc3cc2F)c(N)n1.
What is the InChIKey of 1-[(7-fluoroquinolin-6-yl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is RGFLOBUSBFROCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5/c1-9-8-20(14(16)19-9)18-7-11-5-10-3-2-4-17-13(10)6-12(11)15/h2-8H,1H3,(H2,16,19).
What are the key properties of 1-[(7-fluoroquinolin-6-yl)methylideneamino]-4-methylimidazol-2-amine?
1-[(7-fluoroquinolin-6-yl)methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 269.28 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-fluoroquinolin-6-yl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168629682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).