(4-nitrophenyl)-(2-phenylquinolin-3-yl)methanone

C22H14N2O3 — CID 137346253

IUPAC(4-nitrophenyl)-(2-phenylquinolin-3-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C22H14N2O3/c25-22(16-10-12-18(13-11-16)24(26)27)19-14-17-8-4-5-9-20(17)23-21(19)15-6-2-1-3-7-15/h1-14H
InChIKeyXELNOYRCGQFTPA-UHFFFAOYSA-N
MW354.37 g/mol
LogP5.04
Rot. Bonds4

About (4-nitrophenyl)-(2-phenylquinolin-3-yl)methanone

(4-nitrophenyl)-(2-phenylquinolin-3-yl)methanone (PubChem CID 137346253) has the molecular formula C22H14N2O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is (4-nitrophenyl)-(2-phenylquinolin-3-yl)methanone.

Molecular Properties

Compound Name(4-nitrophenyl)-(2-phenylquinolin-3-yl)methanone
PubChem CID137346253
Molecular FormulaC22H14N2O3
Molecular Weight354.37 g/mol
Exact Mass354.10
IUPAC Name(4-nitrophenyl)-(2-phenylquinolin-3-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C22H14N2O3/c25-22(16-10-12-18(13-11-16)24(26)27)19-14-17-8-4-5-9-20(17)23-21(19)15-6-2-1-3-7-15/h1-14H
InChIKeyXELNOYRCGQFTPA-UHFFFAOYSA-N
XLogP5.04
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.37
LogP ≤ 55.04
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

ethyl 3-(4-nitrobenzoyl)quinoline-2-carboxylate
CID 176908694
2-phenylquinoline-3-carboxamide
CID 22159420
[2-(4-bromophenyl)quinolin-3-yl]-(4-methoxyphenyl)methanone
CID 164676439
furan-2-yl-(2-phenylquinolin-3-yl)methanone
CID 164676438
[3-(4-nitrophenyl)naphthalen-1-yl]-phenylmethanone
CID 102418781
N'-(4-nitrobenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 3126530
carbonic acid;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 175319577
(2-methyl-4-nitrophenyl)-phenylmethanone
CID 12846491
acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702
hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 172745216
(4-nitrophenyl)-[3-phenyl-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanone
CID 162692056
4-(4-nitrobenzoyl)-2-phenylpyrimidine-5-carbonyl chloride
CID 10044507

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)-(2-phenylquinolin-3-yl)methanone?
The IUPAC name of (4-nitrophenyl)-(2-phenylquinolin-3-yl)methanone (CID 137346253) is (4-nitrophenyl)-(2-phenylquinolin-3-yl)methanone.
What is the SMILES notation for (4-nitrophenyl)-(2-phenylquinolin-3-yl)methanone?
The canonical SMILES for (4-nitrophenyl)-(2-phenylquinolin-3-yl)methanone is O=C(c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2nc1-c1ccccc1.
What is the InChIKey of (4-nitrophenyl)-(2-phenylquinolin-3-yl)methanone?
The InChIKey is XELNOYRCGQFTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O3/c25-22(16-10-12-18(13-11-16)24(26)27)19-14-17-8-4-5-9-20(17)23-21(19)15-6-2-1-3-7-15/h1-14H.
What are the key properties of (4-nitrophenyl)-(2-phenylquinolin-3-yl)methanone?
(4-nitrophenyl)-(2-phenylquinolin-3-yl)methanone has a molecular weight of 354.37 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)-(2-phenylquinolin-3-yl)methanone is sourced from PubChem (CID 137346253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).