(5-chlorofuran-2-yl)-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone

C14H11ClN2O4 — CID 84589440

IUPAC(5-chlorofuran-2-yl)-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(Cl)o1)N1CCCc2c1cccc2[N+](=O)[O-]
InChIInChI=1S/C14H11ClN2O4/c15-13-7-6-12(21-13)14(18)16-8-2-3-9-10(16)4-1-5-11(9)17(19)20/h1,4-7H,2-3,8H2
InChIKeyNKGJRLWONASFIM-UHFFFAOYSA-N
MW306.71 g/mol
LogP3.43
Rot. Bonds2

About (5-chlorofuran-2-yl)-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone

(5-chlorofuran-2-yl)-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 84589440) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID84589440
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Name(5-chlorofuran-2-yl)-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(Cl)o1)N1CCCc2c1cccc2[N+](=O)[O-]
InChIInChI=1S/C14H11ClN2O4/c15-13-7-6-12(21-13)14(18)16-8-2-3-9-10(16)4-1-5-11(9)17(19)20/h1,4-7H,2-3,8H2
InChIKeyNKGJRLWONASFIM-UHFFFAOYSA-N
XLogP3.43
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5-chlorofuran-2-yl)-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methyl-1,3-benzoxazol-4-yl)-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 122144201
[(2S,5R)-5-methyloxolan-2-yl]-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 97326598
1-[(2S)-1-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]pyrrolidin-2-one
CID 99820787
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-ethylfuran-2-yl)methanone
CID 82706143
(2S)-2-amino-1-(4-nitro-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
CID 119326470
morpholin-2-yl-(4-nitro-2,3-dihydroindol-1-yl)methanone
CID 119788511
1-(2-bromo-3-nitrobenzoyl)piperidin-2-one
CID 132563686
3-amino-2-methyl-1-(4-nitro-2,3-dihydroindol-1-yl)butan-1-one
CID 120500994
[5-(chloromethyl)furan-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 82109788
1-(5-nitrofuran-2-carbonyl)azepan-2-one
CID 18916082
1-(5-methylfuran-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336564
(4-chloro-3-nitrophenyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55671768

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (5-chlorofuran-2-yl)-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 84589440) is (5-chlorofuran-2-yl)-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1ccc(Cl)o1)N1CCCc2c1cccc2[N+](=O)[O-].
What is the InChIKey of (5-chlorofuran-2-yl)-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is NKGJRLWONASFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c15-13-7-6-12(21-13)14(18)16-8-2-3-9-10(16)4-1-5-11(9)17(19)20/h1,4-7H,2-3,8H2.
What are the key properties of (5-chlorofuran-2-yl)-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone?
(5-chlorofuran-2-yl)-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 306.71 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 84589440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).