9-methylidene-8-(3-morpholin-4-ylpropylamino)-5-nitro-10H-acridin-2-ol

C21H24N4O4 — CID 89298071

IUPAC9-methylidene-8-(3-morpholin-4-ylpropylamino)-5-nitro-10H-acridin-2-ol
SMILESC=C1c2cc(O)ccc2Nc2c([N+](=O)[O-])ccc(NCCCN3CCOCC3)c21
InChIInChI=1S/C21H24N4O4/c1-14-16-13-15(26)3-4-17(16)23-21-19(25(27)28)6-5-18(20(14)21)22-7-2-8-24-9-11-29-12-10-24/h3-6,13,22-23,26H,1-2,7-12H2
InChIKeyFYEVMNBLLWJIJB-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.55
Rot. Bonds6

About 9-methylidene-8-(3-morpholin-4-ylpropylamino)-5-nitro-10H-acridin-2-ol

9-methylidene-8-(3-morpholin-4-ylpropylamino)-5-nitro-10H-acridin-2-ol (PubChem CID 89298071) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 9-methylidene-8-(3-morpholin-4-ylpropylamino)-5-nitro-10H-acridin-2-ol.

Molecular Properties

Compound Name9-methylidene-8-(3-morpholin-4-ylpropylamino)-5-nitro-10H-acridin-2-ol
PubChem CID89298071
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name9-methylidene-8-(3-morpholin-4-ylpropylamino)-5-nitro-10H-acridin-2-ol
SMILESC=C1c2cc(O)ccc2Nc2c([N+](=O)[O-])ccc(NCCCN3CCOCC3)c21
InChIInChI=1S/C21H24N4O4/c1-14-16-13-15(26)3-4-17(16)23-21-19(25(27)28)6-5-18(20(14)21)22-7-2-8-24-9-11-29-12-10-24/h3-6,13,22-23,26H,1-2,7-12H2
InChIKeyFYEVMNBLLWJIJB-UHFFFAOYSA-N
XLogP3.55
TPSA99.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', '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

5-bromo-4-fluoro-N-(3-morpholin-4-ylpropyl)-2-nitroaniline
CID 116736925
2-fluoro-N-(3-morpholin-4-ylpropyl)-4-nitroaniline
CID 2927743
4-fluoro-3-nitrobenzenesulfonamide;4-(3-morpholin-4-ylpropylamino)-3-nitrobenzenesulfonamide
CID 87316206
3-bromo-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-4-amine
CID 84592604
3-methyl-N-(3-morpholin-4-ylpropyl)-2-nitroaniline
CID 102604967
N-(3-morpholin-4-ylpropyl)-N'-(2-nitrophenyl)oxamide
CID 7585342
N-(3-morpholin-4-ylpropyl)-2-nitrothiophen-3-amine
CID 3078806
N-(3-morpholin-4-ylpropyl)-2-nitrothiophen-3-amine;hydrochloride
CID 3078805
4-methyl-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine
CID 79173434
5-nitro-2-[3-(1,4-oxazepan-4-yl)propylamino]benzonitrile
CID 139017550
3-(2-morpholin-4-ylethyliminomethyl)-4-nitrophenol
CID 25269594
6-(3-morpholin-4-ylpropylamino)-3-nitropyridine-2-carbonitrile
CID 103471217

Frequently Asked Questions

What is the IUPAC name of 9-methylidene-8-(3-morpholin-4-ylpropylamino)-5-nitro-10H-acridin-2-ol?
The IUPAC name of 9-methylidene-8-(3-morpholin-4-ylpropylamino)-5-nitro-10H-acridin-2-ol (CID 89298071) is 9-methylidene-8-(3-morpholin-4-ylpropylamino)-5-nitro-10H-acridin-2-ol.
What is the SMILES notation for 9-methylidene-8-(3-morpholin-4-ylpropylamino)-5-nitro-10H-acridin-2-ol?
The canonical SMILES for 9-methylidene-8-(3-morpholin-4-ylpropylamino)-5-nitro-10H-acridin-2-ol is C=C1c2cc(O)ccc2Nc2c([N+](=O)[O-])ccc(NCCCN3CCOCC3)c21.
What is the InChIKey of 9-methylidene-8-(3-morpholin-4-ylpropylamino)-5-nitro-10H-acridin-2-ol?
The InChIKey is FYEVMNBLLWJIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-14-16-13-15(26)3-4-17(16)23-21-19(25(27)28)6-5-18(20(14)21)22-7-2-8-24-9-11-29-12-10-24/h3-6,13,22-23,26H,1-2,7-12H2.
What are the key properties of 9-methylidene-8-(3-morpholin-4-ylpropylamino)-5-nitro-10H-acridin-2-ol?
9-methylidene-8-(3-morpholin-4-ylpropylamino)-5-nitro-10H-acridin-2-ol has a molecular weight of 396.45 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylidene-8-(3-morpholin-4-ylpropylamino)-5-nitro-10H-acridin-2-ol is sourced from PubChem (CID 89298071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).