6-amino-1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinoxaline-2-carbaldehyde

C17H18FN3O — CID 174562265

IUPAC6-amino-1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinoxaline-2-carbaldehyde
SMILESCC1(C)Nc2cc(N)ccc2N(c2ccc(F)cc2)C1C=O
InChIInChI=1S/C17H18FN3O/c1-17(2)16(10-22)21(13-6-3-11(18)4-7-13)15-8-5-12(19)9-14(15)20-17/h3-10,16,20H,19H2,1-2H3
InChIKeyDYVPBWINZVEZTQ-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.32
Rot. Bonds2

About 6-amino-1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinoxaline-2-carbaldehyde

6-amino-1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinoxaline-2-carbaldehyde (PubChem CID 174562265) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 6-amino-1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinoxaline-2-carbaldehyde.

Molecular Properties

Compound Name6-amino-1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinoxaline-2-carbaldehyde
PubChem CID174562265
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name6-amino-1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinoxaline-2-carbaldehyde
SMILESCC1(C)Nc2cc(N)ccc2N(c2ccc(F)cc2)C1C=O
InChIInChI=1S/C17H18FN3O/c1-17(2)16(10-22)21(13-6-3-11(18)4-7-13)15-8-5-12(19)9-14(15)20-17/h3-10,16,20H,19H2,1-2H3
InChIKeyDYVPBWINZVEZTQ-UHFFFAOYSA-N
XLogP3.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-amino-1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinoxaline-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-amino-2,2-bis(ethylamino)-4-(4-fluorophenyl)-3H-1,4-benzoxazine-3-carbaldehyde
CID 174651460
7-amino-4-(4-fluorophenyl)-5-(hydroxymethyl)-2,2-dimethyl-3H-1,4-benzoxazine-3-carbaldehyde
CID 174562266
6-amino-1-(4-fluorophenyl)-3,3-dimethylquinoline-2,4-dione
CID 66789488
1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinolin-6-amine
CID 141180811
4-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxyaniline
CID 91684405
9-(4-fluorophenyl)carbazole-3,6-diamine
CID 89271957
5-amino-2-(4-fluorophenyl)isoindole-1,3-dione
CID 28773111
7-amino-4-(3,4-difluorophenyl)-2,2-dimethyl-1,4-benzoxazin-3-one
CID 66791117
7-amino-4-(4-fluorophenyl)-1,4-benzothiazin-3-one
CID 66790832
7-amino-2,2-dimethyl-4-(2-phenylethenyl)-3H-1,4-benzoxazine-3-carbaldehyde
CID 174562275
5-amino-1,3-dimethyl-2H-benzimidazole-2-carbaldehyde
CID 174550788
4-fluoroaniline;propanal
CID 143106695

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinoxaline-2-carbaldehyde?
The IUPAC name of 6-amino-1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinoxaline-2-carbaldehyde (CID 174562265) is 6-amino-1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinoxaline-2-carbaldehyde.
What is the SMILES notation for 6-amino-1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinoxaline-2-carbaldehyde?
The canonical SMILES for 6-amino-1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinoxaline-2-carbaldehyde is CC1(C)Nc2cc(N)ccc2N(c2ccc(F)cc2)C1C=O.
What is the InChIKey of 6-amino-1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinoxaline-2-carbaldehyde?
The InChIKey is DYVPBWINZVEZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-17(2)16(10-22)21(13-6-3-11(18)4-7-13)15-8-5-12(19)9-14(15)20-17/h3-10,16,20H,19H2,1-2H3.
What are the key properties of 6-amino-1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinoxaline-2-carbaldehyde?
6-amino-1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinoxaline-2-carbaldehyde has a molecular weight of 299.35 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinoxaline-2-carbaldehyde is sourced from PubChem (CID 174562265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).