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

C17H17FN2O — CID 63499391

IUPAC(2-amino-3-fluorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1Cc2ccccc2N(C(=O)c2cccc(F)c2N)C1
InChIInChI=1S/C17H17FN2O/c1-11-9-12-5-2-3-8-15(12)20(10-11)17(21)13-6-4-7-14(18)16(13)19/h2-8,11H,9-10,19H2,1H3
InChIKeySYOKEKCMGDRODN-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.25
Rot. Bonds1

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

(2-amino-3-fluorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 63499391) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is (2-amino-3-fluorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-fluorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID63499391
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name(2-amino-3-fluorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1Cc2ccccc2N(C(=O)c2cccc(F)c2N)C1
InChIInChI=1S/C17H17FN2O/c1-11-9-12-5-2-3-8-15(12)20(10-11)17(21)13-6-4-7-14(18)16(13)19/h2-8,11H,9-10,19H2,1H3
InChIKeySYOKEKCMGDRODN-UHFFFAOYSA-N
XLogP3.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-fluorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (2-amino-3-fluorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 63499391) is (2-amino-3-fluorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (2-amino-3-fluorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (2-amino-3-fluorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CC1Cc2ccccc2N(C(=O)c2cccc(F)c2N)C1.
What is the InChIKey of (2-amino-3-fluorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is SYOKEKCMGDRODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-11-9-12-5-2-3-8-15(12)20(10-11)17(21)13-6-4-7-14(18)16(13)19/h2-8,11H,9-10,19H2,1H3.
What are the key properties of (2-amino-3-fluorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(2-amino-3-fluorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 284.33 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-fluorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 63499391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).