N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methylphenyl)methyl]propanamide

C20H19N3O4 — CID 2922056

IUPACN-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methylphenyl)methyl]propanamide
SMILESCCC(=O)NC(c1ccc(C)cc1)c1cc([N+](=O)[O-])c2cccnc2c1O
InChIInChI=1S/C20H19N3O4/c1-3-17(24)22-18(13-8-6-12(2)7-9-13)15-11-16(23(26)27)14-5-4-10-21-19(14)20(15)25/h4-11,18,25H,3H2,1-2H3,(H,22,24)
InChIKeySOOZZAWHFOKELH-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.77
Rot. Bonds5

About N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methylphenyl)methyl]propanamide

N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methylphenyl)methyl]propanamide (PubChem CID 2922056) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methylphenyl)methyl]propanamide
PubChem CID2922056
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methylphenyl)methyl]propanamide
SMILESCCC(=O)NC(c1ccc(C)cc1)c1cc([N+](=O)[O-])c2cccnc2c1O
InChIInChI=1S/C20H19N3O4/c1-3-17(24)22-18(13-8-6-12(2)7-9-13)15-11-16(23(26)27)14-5-4-10-21-19(14)20(15)25/h4-11,18,25H,3H2,1-2H3,(H,22,24)
InChIKeySOOZZAWHFOKELH-UHFFFAOYSA-N
XLogP3.77
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methylphenyl)methyl]propanamide?
The IUPAC name of N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methylphenyl)methyl]propanamide (CID 2922056) is N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methylphenyl)methyl]propanamide?
The canonical SMILES for N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methylphenyl)methyl]propanamide is CCC(=O)NC(c1ccc(C)cc1)c1cc([N+](=O)[O-])c2cccnc2c1O.
What is the InChIKey of N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methylphenyl)methyl]propanamide?
The InChIKey is SOOZZAWHFOKELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-3-17(24)22-18(13-8-6-12(2)7-9-13)15-11-16(23(26)27)14-5-4-10-21-19(14)20(15)25/h4-11,18,25H,3H2,1-2H3,(H,22,24).
What are the key properties of N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methylphenyl)methyl]propanamide?
N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methylphenyl)methyl]propanamide has a molecular weight of 365.39 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 2922056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).