(2R)-2-(4-nitrophenyl)-3-quinolin-7-yliminoinden-1-one

C24H15N3O3 — CID 129377287

IUPAC(2R)-2-(4-nitrophenyl)-3-quinolin-7-yliminoinden-1-one
SMILESO=C1c2ccccc2/C(=N\c2ccc3cccnc3c2)[C@H]1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H15N3O3/c28-24-20-6-2-1-5-19(20)23(22(24)16-8-11-18(12-9-16)27(29)30)26-17-10-7-15-4-3-13-25-21(15)14-17/h1-14,22H/b26-23+/t22-/m1/s1
InChIKeyLCKHYSCZKBGWKL-NJGKLKBPSA-N
MW393.40 g/mol
LogP5.24
Rot. Bonds3

About (2R)-2-(4-nitrophenyl)-3-quinolin-7-yliminoinden-1-one

(2R)-2-(4-nitrophenyl)-3-quinolin-7-yliminoinden-1-one (PubChem CID 129377287) has the molecular formula C24H15N3O3 and a molecular weight of 393.40 g/mol. Its IUPAC name is (2R)-2-(4-nitrophenyl)-3-quinolin-7-yliminoinden-1-one.

Molecular Properties

Compound Name(2R)-2-(4-nitrophenyl)-3-quinolin-7-yliminoinden-1-one
PubChem CID129377287
Molecular FormulaC24H15N3O3
Molecular Weight393.40 g/mol
Exact Mass393.11
IUPAC Name(2R)-2-(4-nitrophenyl)-3-quinolin-7-yliminoinden-1-one
SMILESO=C1c2ccccc2/C(=N\c2ccc3cccnc3c2)[C@H]1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H15N3O3/c28-24-20-6-2-1-5-19(20)23(22(24)16-8-11-18(12-9-16)27(29)30)26-17-10-7-15-4-3-13-25-21(15)14-17/h1-14,22H/b26-23+/t22-/m1/s1
InChIKeyLCKHYSCZKBGWKL-NJGKLKBPSA-N
XLogP5.24
TPSA85.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.40
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

formaldehyde;bis(7-nitroquinoline)
CID 174420238
2-(4-nitrophenyl)-3-piperidin-2-yliminoinden-1-one
CID 4102106
(2R)-5-nitro-2-pyridin-2-ylindene-1,3-dione
CID 98115653
5-nitro-2-phenylindene-1,3-dione
CID 12776975
phenyl(quinolin-7-yl)diazene
CID 555553
7-isocyanatoquinoline
CID 164643475
4-nitro-N-[(E)-quinolin-6-ylmethylideneamino]aniline
CID 51682498
bis(cyano-(4-nitrophenyl)azanide);methanol;nickel(2+);bis(1,10-phenanthroline)
CID 139083288
N-naphthalen-2-yl-1-(4-nitrophenyl)methanimine
CID 826826
copper;bis(1,10-phenanthroline);dinitrate;hydrate
CID 15478309
N-(4-nitrophenyl)-3-pyridin-2-ylnaphthalen-2-amine
CID 72736085
3-(4-nitrophenyl)-2-[[3-(4-nitrophenyl)-1,8-naphthyridin-2-yl]sulfanyl]-1,8-naphthyridine
CID 134693588

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-nitrophenyl)-3-quinolin-7-yliminoinden-1-one?
The IUPAC name of (2R)-2-(4-nitrophenyl)-3-quinolin-7-yliminoinden-1-one (CID 129377287) is (2R)-2-(4-nitrophenyl)-3-quinolin-7-yliminoinden-1-one.
What is the SMILES notation for (2R)-2-(4-nitrophenyl)-3-quinolin-7-yliminoinden-1-one?
The canonical SMILES for (2R)-2-(4-nitrophenyl)-3-quinolin-7-yliminoinden-1-one is O=C1c2ccccc2/C(=N\c2ccc3cccnc3c2)[C@H]1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-2-(4-nitrophenyl)-3-quinolin-7-yliminoinden-1-one?
The InChIKey is LCKHYSCZKBGWKL-NJGKLKBPSA-N. The full InChI is InChI=1S/C24H15N3O3/c28-24-20-6-2-1-5-19(20)23(22(24)16-8-11-18(12-9-16)27(29)30)26-17-10-7-15-4-3-13-25-21(15)14-17/h1-14,22H/b26-23+/t22-/m1/s1.
What are the key properties of (2R)-2-(4-nitrophenyl)-3-quinolin-7-yliminoinden-1-one?
(2R)-2-(4-nitrophenyl)-3-quinolin-7-yliminoinden-1-one has a molecular weight of 393.40 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-nitrophenyl)-3-quinolin-7-yliminoinden-1-one is sourced from PubChem (CID 129377287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).