(4-chloro-3-nitrophenyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone

C16H11ClF2N2O3 — CID 55671768

IUPAC(4-chloro-3-nitrophenyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCc2c(F)cc(F)cc21
InChIInChI=1S/C16H11ClF2N2O3/c17-12-4-3-9(6-15(12)21(23)24)16(22)20-5-1-2-11-13(19)7-10(18)8-14(11)20/h3-4,6-8H,1-2,5H2
InChIKeyANQWIVRZZDIYPD-UHFFFAOYSA-N
MW352.72 g/mol
LogP4.12
Rot. Bonds2

About (4-chloro-3-nitrophenyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone

(4-chloro-3-nitrophenyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 55671768) has the molecular formula C16H11ClF2N2O3 and a molecular weight of 352.72 g/mol. Its IUPAC name is (4-chloro-3-nitrophenyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-3-nitrophenyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID55671768
Molecular FormulaC16H11ClF2N2O3
Molecular Weight352.72 g/mol
Exact Mass352.04
IUPAC Name(4-chloro-3-nitrophenyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCc2c(F)cc(F)cc21
InChIInChI=1S/C16H11ClF2N2O3/c17-12-4-3-9(6-15(12)21(23)24)16(22)20-5-1-2-11-13(19)7-10(18)8-14(11)20/h3-4,6-8H,1-2,5H2
InChIKeyANQWIVRZZDIYPD-UHFFFAOYSA-N
XLogP4.12
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.72
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
CID 55671472
(4,6-difluoro-2,3-dihydroindol-1-yl)-(4-nitro-1H-pyrazol-5-yl)methanone
CID 99834833
(4-chloro-3-nitrophenyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 4820494
2-chloro-1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 131264590
(4-chloro-3-nitrophenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone
CID 4749460
(4,6-difluoro-2,3-dihydroindol-1-yl)-(4-iodophenyl)methanone
CID 112833897
1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-nitrophenyl)sulfanylpropan-1-one
CID 55671741
(4-chloro-3-nitrophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19327502
(4-chloro-3-nitrophenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2933461
5,7-difluoro-1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-3,4-dihydro-2H-quinoline
CID 156859285
2-[2-chloro-4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methoxyphenoxy]acetamide
CID 55671413
(4-chloro-3-nitrophenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 6941661

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-nitrophenyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (4-chloro-3-nitrophenyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 55671768) is (4-chloro-3-nitrophenyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (4-chloro-3-nitrophenyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (4-chloro-3-nitrophenyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCc2c(F)cc(F)cc21.
What is the InChIKey of (4-chloro-3-nitrophenyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is ANQWIVRZZDIYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N2O3/c17-12-4-3-9(6-15(12)21(23)24)16(22)20-5-1-2-11-13(19)7-10(18)8-14(11)20/h3-4,6-8H,1-2,5H2.
What are the key properties of (4-chloro-3-nitrophenyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
(4-chloro-3-nitrophenyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 352.72 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-nitrophenyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 55671768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).