furan-2-yl-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone

C14H12N2O4 — CID 164578193

IUPACfuran-2-yl-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccco1)N1CCCc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C14H12N2O4/c17-14(13-4-2-8-20-13)15-7-1-3-10-9-11(16(18)19)5-6-12(10)15/h2,4-6,8-9H,1,3,7H2
InChIKeyQQRBRWSBCXBTDJ-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.78
Rot. Bonds2

About furan-2-yl-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone

furan-2-yl-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 164578193) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is furan-2-yl-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID164578193
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Namefuran-2-yl-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccco1)N1CCCc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C14H12N2O4/c17-14(13-4-2-8-20-13)15-7-1-3-10-9-11(16(18)19)5-6-12(10)15/h2,4-6,8-9H,1,3,7H2
InChIKeyQQRBRWSBCXBTDJ-UHFFFAOYSA-N
XLogP2.78
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.78
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'}

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Related Compounds

furan-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 110287360
furan-2-yl-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methanone
CID 56825589
ethyl 1-(furan-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate
CID 71919929
(5-nitro-2,3-dihydroindol-1-yl)-phenylmethanone
CID 4680241
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 171357293
furan-2-yl-[4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2917079
(7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 110291906
furan-2-yl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17416161
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-(4-phenylphenyl)acetamide
CID 16834590
2-(5-nitro-2,3-dihydroindole-1-carbonyl)benzoate
CID 7155300
1-(furan-2-carbonyl)pyrrolidin-2-one
CID 14424878
(2-fluorophenyl)-(5-nitro-2,3-dihydroindol-1-yl)methanone
CID 17421569

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of furan-2-yl-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 164578193) is furan-2-yl-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for furan-2-yl-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for furan-2-yl-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1ccco1)N1CCCc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of furan-2-yl-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is QQRBRWSBCXBTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-14(13-4-2-8-20-13)15-7-1-3-10-9-11(16(18)19)5-6-12(10)15/h2,4-6,8-9H,1,3,7H2.
What are the key properties of furan-2-yl-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone?
furan-2-yl-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 272.26 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 164578193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).