(3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

C16H15FN2O — CID 23120300

IUPAC(3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESNc1cc(C(=O)N2CCCc3ccccc32)ccc1F
InChIInChI=1S/C16H15FN2O/c17-13-8-7-12(10-14(13)18)16(20)19-9-3-5-11-4-1-2-6-15(11)19/h1-2,4,6-8,10H,3,5,9,18H2
InChIKeyRKMJVPUABXMRCA-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.00
Rot. Bonds1

About (3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

(3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 23120300) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is (3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID23120300
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name(3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESNc1cc(C(=O)N2CCCc3ccccc32)ccc1F
InChIInChI=1S/C16H15FN2O/c17-13-8-7-12(10-14(13)18)16(20)19-9-3-5-11-4-1-2-6-15(11)19/h1-2,4,6-8,10H,3,5,9,18H2
InChIKeyRKMJVPUABXMRCA-UHFFFAOYSA-N
XLogP3.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone 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

3,4-dihydro-2H-quinolin-1-yl-(4-fluoro-3-sulfanylphenyl)methanone
CID 107021556
(3-amino-4-isocyanophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 58794290
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
(4-aminophenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 10587836
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-diethyl-2-fluorobenzenesulfonamide
CID 51147460
3,4-dihydro-2H-quinolin-1-yl-(6-fluoro-3-pyridinyl)methanone
CID 63972350
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
[3-amino-4-(1-iminopent-1-en-2-ylamino)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 122677769
(2-amino-1,3-benzothiazol-6-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110451226
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 23120300) is (3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is Nc1cc(C(=O)N2CCCc3ccccc32)ccc1F.
What is the InChIKey of (3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is RKMJVPUABXMRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-13-8-7-12(10-14(13)18)16(20)19-9-3-5-11-4-1-2-6-15(11)19/h1-2,4,6-8,10H,3,5,9,18H2.
What are the key properties of (3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
(3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 270.31 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 23120300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).