(4-morpholin-4-yl-3-nitrophenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone

C19H18N4O6 — CID 16582545

IUPAC(4-morpholin-4-yl-3-nitrophenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C19H18N4O6/c24-19(21-6-5-13-1-3-15(22(25)26)12-17(13)21)14-2-4-16(18(11-14)23(27)28)20-7-9-29-10-8-20/h1-4,11-12H,5-10H2
InChIKeyIXBVEFOJYQPVHU-UHFFFAOYSA-N
MW398.38 g/mol
LogP2.54
Rot. Bonds4

About (4-morpholin-4-yl-3-nitrophenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone

(4-morpholin-4-yl-3-nitrophenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone (PubChem CID 16582545) has the molecular formula C19H18N4O6 and a molecular weight of 398.38 g/mol. Its IUPAC name is (4-morpholin-4-yl-3-nitrophenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(4-morpholin-4-yl-3-nitrophenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
PubChem CID16582545
Molecular FormulaC19H18N4O6
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC Name(4-morpholin-4-yl-3-nitrophenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C19H18N4O6/c24-19(21-6-5-13-1-3-15(22(25)26)12-17(13)21)14-2-4-16(18(11-14)23(27)28)20-7-9-29-10-8-20/h1-4,11-12H,5-10H2
InChIKeyIXBVEFOJYQPVHU-UHFFFAOYSA-N
XLogP2.54
TPSA119.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

(6-nitro-2,3-dihydroindol-1-yl)-(3-nitro-4-piperidin-1-ylphenyl)methanone
CID 16582546
[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-(4-morpholin-4-yl-3-nitrophenyl)methanone
CID 17116481
(3,4-dimethylphenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 51711520
furan-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 110287360
N-(2-chloro-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 7339768
N-(4-morpholin-4-yl-3-nitrophenyl)-4-nitrobenzamide
CID 17127125
3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzonitrile
CID 16603335
[4-(4-fluorophenyl)piperazin-1-yl]-(4-morpholin-4-yl-3-nitrophenyl)methanone
CID 9081821
(2,3-dimethyl-1H-indol-5-yl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 37162521
[4-(diethylaminomethyl)phenyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 55645791
bis(2-morpholin-4-yl-4-nitrophenyl)methanone
CID 15355385
(7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 110291906

Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-yl-3-nitrophenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (4-morpholin-4-yl-3-nitrophenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone (CID 16582545) is (4-morpholin-4-yl-3-nitrophenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (4-morpholin-4-yl-3-nitrophenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (4-morpholin-4-yl-3-nitrophenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone is O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of (4-morpholin-4-yl-3-nitrophenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is IXBVEFOJYQPVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O6/c24-19(21-6-5-13-1-3-15(22(25)26)12-17(13)21)14-2-4-16(18(11-14)23(27)28)20-7-9-29-10-8-20/h1-4,11-12H,5-10H2.
What are the key properties of (4-morpholin-4-yl-3-nitrophenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone?
(4-morpholin-4-yl-3-nitrophenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 398.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-yl-3-nitrophenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 16582545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).