(7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone

C16H14N2O3 — CID 110291906

IUPAC(7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C16H14N2O3/c19-16(13-5-2-1-3-6-13)17-10-4-7-12-8-9-14(18(20)21)11-15(12)17/h1-3,5-6,8-9,11H,4,7,10H2
InChIKeyFJOFUURWIAQKAO-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.19
Rot. Bonds2

About (7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone

(7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone (PubChem CID 110291906) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is (7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
PubChem CID110291906
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name(7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C16H14N2O3/c19-16(13-5-2-1-3-6-13)17-10-4-7-12-8-9-14(18(20)21)11-15(12)17/h1-3,5-6,8-9,11H,4,7,10H2
InChIKeyFJOFUURWIAQKAO-UHFFFAOYSA-N
XLogP3.19
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.19
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

N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-nitrobenzamide
CID 16835048
(2-methylphenyl)-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110291907
(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-nitrophenyl)methanone
CID 895005
1-[3-(7-nitro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one
CID 110309326
(5-nitro-2,3-dihydroindol-1-yl)-phenylmethanone
CID 4680241
N-[4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
CID 37162744
ethane;1-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 143533155
N-benzyl-7-nitro-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110354585
1-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 4005404
3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzonitrile
CID 16603335
(3,4-dimethylphenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 51711520
4-(6-nitro-2,3-dihydroindole-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 37163279

Frequently Asked Questions

What is the IUPAC name of (7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone?
The IUPAC name of (7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone (CID 110291906) is (7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone.
What is the SMILES notation for (7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone?
The canonical SMILES for (7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone is O=C(c1ccccc1)N1CCCc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of (7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone?
The InChIKey is FJOFUURWIAQKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-16(13-5-2-1-3-6-13)17-10-4-7-12-8-9-14(18(20)21)11-15(12)17/h1-3,5-6,8-9,11H,4,7,10H2.
What are the key properties of (7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone?
(7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone has a molecular weight of 282.30 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone is sourced from PubChem (CID 110291906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).