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

C20H19N3O5 — CID 2920552

IUPACN-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methoxyphenyl)methyl]propanamide
SMILESCCC(=O)NC(c1ccc(OC)cc1)c1cc([N+](=O)[O-])c2cccnc2c1O
InChIInChI=1S/C20H19N3O5/c1-3-17(24)22-18(12-6-8-13(28-2)9-7-12)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)
InChIKeyGCDIZYCSTSTQDB-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.47
Rot. Bonds6

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

N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methoxyphenyl)methyl]propanamide (PubChem CID 2920552) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methoxyphenyl)methyl]propanamide
PubChem CID2920552
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC NameN-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methoxyphenyl)methyl]propanamide
SMILESCCC(=O)NC(c1ccc(OC)cc1)c1cc([N+](=O)[O-])c2cccnc2c1O
InChIInChI=1S/C20H19N3O5/c1-3-17(24)22-18(12-6-8-13(28-2)9-7-12)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)
InChIKeyGCDIZYCSTSTQDB-UHFFFAOYSA-N
XLogP3.47
TPSA114.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methoxyphenyl)methyl]propanamide?
The IUPAC name of N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methoxyphenyl)methyl]propanamide (CID 2920552) is N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methoxyphenyl)methyl]propanamide is CCC(=O)NC(c1ccc(OC)cc1)c1cc([N+](=O)[O-])c2cccnc2c1O.
What is the InChIKey of N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methoxyphenyl)methyl]propanamide?
The InChIKey is GCDIZYCSTSTQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-3-17(24)22-18(12-6-8-13(28-2)9-7-12)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-methoxyphenyl)methyl]propanamide?
N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methoxyphenyl)methyl]propanamide has a molecular weight of 381.39 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 2920552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).