6-amino-1-[(2,6-difluorophenyl)methyl]-3,4-dihydroquinolin-2-one

C16H14F2N2O — CID 114930164

IUPAC6-amino-1-[(2,6-difluorophenyl)methyl]-3,4-dihydroquinolin-2-one
SMILESNc1ccc2c(c1)CCC(=O)N2Cc1c(F)cccc1F
InChIInChI=1S/C16H14F2N2O/c17-13-2-1-3-14(18)12(13)9-20-15-6-5-11(19)8-10(15)4-7-16(20)21/h1-3,5-6,8H,4,7,9,19H2
InChIKeyHVMPMSFQXDPDSD-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.03
Rot. Bonds2

About 6-amino-1-[(2,6-difluorophenyl)methyl]-3,4-dihydroquinolin-2-one

6-amino-1-[(2,6-difluorophenyl)methyl]-3,4-dihydroquinolin-2-one (PubChem CID 114930164) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 6-amino-1-[(2,6-difluorophenyl)methyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-amino-1-[(2,6-difluorophenyl)methyl]-3,4-dihydroquinolin-2-one
PubChem CID114930164
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name6-amino-1-[(2,6-difluorophenyl)methyl]-3,4-dihydroquinolin-2-one
SMILESNc1ccc2c(c1)CCC(=O)N2Cc1c(F)cccc1F
InChIInChI=1S/C16H14F2N2O/c17-13-2-1-3-14(18)12(13)9-20-15-6-5-11(19)8-10(15)4-7-16(20)21/h1-3,5-6,8H,4,7,9,19H2
InChIKeyHVMPMSFQXDPDSD-UHFFFAOYSA-N
XLogP3.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.03
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

1-[(2,6-difluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 114935100
1-[(4-amino-2-fluorophenyl)methyl]-3,4-dihydroquinolin-2-one
CID 64769062
6-amino-1-[(2-methylphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 43446579
1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-amine
CID 114930465
6-amino-1-(2-sulfanylethyl)-3,4-dihydroquinolin-2-one
CID 115223654
6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one
CID 82926292
6-amino-1-[(1-aminocyclopropyl)methyl]-3,4-dihydroquinolin-2-one
CID 115256369
6-amino-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydroquinolin-2-one
CID 61311449
4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)butanenitrile
CID 43446567
6-amino-1-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydroquinolin-2-one
CID 116615835
6-amino-1-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 106863380
6-amino-1-(cyclohexylmethyl)-3,4-dihydroquinolin-2-one
CID 43446552

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[(2,6-difluorophenyl)methyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-amino-1-[(2,6-difluorophenyl)methyl]-3,4-dihydroquinolin-2-one (CID 114930164) is 6-amino-1-[(2,6-difluorophenyl)methyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-amino-1-[(2,6-difluorophenyl)methyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-amino-1-[(2,6-difluorophenyl)methyl]-3,4-dihydroquinolin-2-one is Nc1ccc2c(c1)CCC(=O)N2Cc1c(F)cccc1F.
What is the InChIKey of 6-amino-1-[(2,6-difluorophenyl)methyl]-3,4-dihydroquinolin-2-one?
The InChIKey is HVMPMSFQXDPDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c17-13-2-1-3-14(18)12(13)9-20-15-6-5-11(19)8-10(15)4-7-16(20)21/h1-3,5-6,8H,4,7,9,19H2.
What are the key properties of 6-amino-1-[(2,6-difluorophenyl)methyl]-3,4-dihydroquinolin-2-one?
6-amino-1-[(2,6-difluorophenyl)methyl]-3,4-dihydroquinolin-2-one has a molecular weight of 288.30 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[(2,6-difluorophenyl)methyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 114930164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).