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

C16H14ClFN2O — CID 82711974

IUPAC(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-2-fluorophenyl)methanone
SMILESNc1cccc2c1CCCN2C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C16H14ClFN2O/c17-10-6-7-11(13(18)9-10)16(21)20-8-2-3-12-14(19)4-1-5-15(12)20/h1,4-7,9H,2-3,8,19H2
InChIKeyBZJUSPPUTWHPQM-UHFFFAOYSA-N
MW304.75 g/mol
LogP3.65
Rot. Bonds1

About (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-2-fluorophenyl)methanone

(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-2-fluorophenyl)methanone (PubChem CID 82711974) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-2-fluorophenyl)methanone
PubChem CID82711974
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-2-fluorophenyl)methanone
SMILESNc1cccc2c1CCCN2C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C16H14ClFN2O/c17-10-6-7-11(13(18)9-10)16(21)20-8-2-3-12-14(19)4-1-5-15(12)20/h1,4-7,9H,2-3,8,19H2
InChIKeyBZJUSPPUTWHPQM-UHFFFAOYSA-N
XLogP3.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-fluorophenyl)methanone
CID 82712007
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-5-fluorophenyl)methanone
CID 82711987
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dichlorophenyl)methanone
CID 82744828
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-bromo-2-methylphenyl)methanone
CID 82711971
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-iodophenyl)methanone
CID 82705307
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone
CID 82707193
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-1-ethylpyrrol-2-yl)methanone
CID 82745168
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 82706052
(4-amino-2,3-dihydroindol-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 107013248
1-(2-fluoro-4-methoxybenzoyl)-3,4-dihydro-2H-quinoline-5-carboxamide
CID 78884609
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone
CID 82704663
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 82706431

Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-2-fluorophenyl)methanone?
The IUPAC name of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-2-fluorophenyl)methanone (CID 82711974) is (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-2-fluorophenyl)methanone?
The canonical SMILES for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-2-fluorophenyl)methanone is Nc1cccc2c1CCCN2C(=O)c1ccc(Cl)cc1F.
What is the InChIKey of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-2-fluorophenyl)methanone?
The InChIKey is BZJUSPPUTWHPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c17-10-6-7-11(13(18)9-10)16(21)20-8-2-3-12-14(19)4-1-5-15(12)20/h1,4-7,9H,2-3,8,19H2.
What are the key properties of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-2-fluorophenyl)methanone?
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-2-fluorophenyl)methanone has a molecular weight of 304.75 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 82711974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).