N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-2-nitrobenzamide

C21H20N4O4 — CID 3266363

IUPACN-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-2-nitrobenzamide
SMILESCc1cc(N2CCOCC2)nc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc12
InChIInChI=1S/C21H20N4O4/c1-14-12-20(24-8-10-29-11-9-24)23-18-7-6-15(13-17(14)18)22-21(26)16-4-2-3-5-19(16)25(27)28/h2-7,12-13H,8-11H2,1H3,(H,22,26)
InChIKeyVSUSBWPBGMSKAK-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.54
Rot. Bonds4

About N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-2-nitrobenzamide

N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-2-nitrobenzamide (PubChem CID 3266363) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-2-nitrobenzamide.

Molecular Properties

Compound NameN-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-2-nitrobenzamide
PubChem CID3266363
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC NameN-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-2-nitrobenzamide
SMILESCc1cc(N2CCOCC2)nc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc12
InChIInChI=1S/C21H20N4O4/c1-14-12-20(24-8-10-29-11-9-24)23-18-7-6-15(13-17(14)18)22-21(26)16-4-2-3-5-19(16)25(27)28/h2-7,12-13H,8-11H2,1H3,(H,22,26)
InChIKeyVSUSBWPBGMSKAK-UHFFFAOYSA-N
XLogP3.54
TPSA97.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(4-methyl-2-morpholin-4-ylquinolin-6-yl)pyridine-2-carboxamide
CID 4662676
2-ethyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanamide
CID 46364051
1-(3-fluoro-4-methylphenyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)urea
CID 46288477
2-acetamido-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide
CID 5067109
N-(4-methylphenyl)-2-morpholin-4-ylquinoline-4-carboxamide
CID 659672
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)urea
CID 46288486
2-methoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide
CID 15987836
N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-nitrobenzamide
CID 46267969
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 46364144
ethyl 2-[(4-methyl-2-morpholin-4-ylquinolin-6-yl)carbamoylamino]acetate
CID 46288473
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-2-(4-methylphenoxy)acetamide
CID 126478908
N'-(2-ethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
CID 22426976

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-2-nitrobenzamide?
The IUPAC name of N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-2-nitrobenzamide (CID 3266363) is N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-2-nitrobenzamide.
What is the SMILES notation for N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-2-nitrobenzamide?
The canonical SMILES for N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-2-nitrobenzamide is Cc1cc(N2CCOCC2)nc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc12.
What is the InChIKey of N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-2-nitrobenzamide?
The InChIKey is VSUSBWPBGMSKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-14-12-20(24-8-10-29-11-9-24)23-18-7-6-15(13-17(14)18)22-21(26)16-4-2-3-5-19(16)25(27)28/h2-7,12-13H,8-11H2,1H3,(H,22,26).
What are the key properties of N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-2-nitrobenzamide?
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-2-nitrobenzamide has a molecular weight of 392.42 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-2-nitrobenzamide is sourced from PubChem (CID 3266363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).