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

C16H14ClFN2O — CID 62266898

IUPAC(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-fluorophenyl)methanone
SMILESNc1ccc2c(c1)N(C(=O)c1ccc(F)cc1Cl)CCC2
InChIInChI=1S/C16H14ClFN2O/c17-14-8-11(18)4-6-13(14)16(21)20-7-1-2-10-3-5-12(19)9-15(10)20/h3-6,8-9H,1-2,7,19H2
InChIKeyHDDMQYYSPDHYFN-UHFFFAOYSA-N
MW304.75 g/mol
LogP3.65
Rot. Bonds1

About (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-fluorophenyl)methanone

(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-fluorophenyl)methanone (PubChem CID 62266898) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-fluorophenyl)methanone.

Molecular Properties

Compound Name(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-fluorophenyl)methanone
PubChem CID62266898
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-fluorophenyl)methanone
SMILESNc1ccc2c(c1)N(C(=O)c1ccc(F)cc1Cl)CCC2
InChIInChI=1S/C16H14ClFN2O/c17-14-8-11(18)4-6-13(14)16(21)20-7-1-2-10-3-5-12(19)9-15(10)20/h3-6,8-9H,1-2,7,19H2
InChIKeyHDDMQYYSPDHYFN-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

(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-chlorophenyl)methanone
CID 107986323
(2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493819
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,4-dimethylphenyl)methanone
CID 62266897
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-hydroxyphenyl)methanone
CID 62266720
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-pyridinyl)methanone
CID 66462390
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 62266900
(3-chloro-4-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103714816
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 107687651
(2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 736346
(4-amino-2-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502157
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 28707202
(4-amino-2-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61112430

Frequently Asked Questions

What is the IUPAC name of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-fluorophenyl)methanone?
The IUPAC name of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-fluorophenyl)methanone (CID 62266898) is (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-fluorophenyl)methanone.
What is the SMILES notation for (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-fluorophenyl)methanone?
The canonical SMILES for (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-fluorophenyl)methanone is Nc1ccc2c(c1)N(C(=O)c1ccc(F)cc1Cl)CCC2.
What is the InChIKey of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-fluorophenyl)methanone?
The InChIKey is HDDMQYYSPDHYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c17-14-8-11(18)4-6-13(14)16(21)20-7-1-2-10-3-5-12(19)9-15(10)20/h3-6,8-9H,1-2,7,19H2.
What are the key properties of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-fluorophenyl)methanone?
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-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 (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-fluorophenyl)methanone is sourced from PubChem (CID 62266898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).