N-benzyl-3-[(6-nitroquinolin-2-yl)amino]propanamide

C19H18N4O3 — CID 133279470

IUPACN-benzyl-3-[(6-nitroquinolin-2-yl)amino]propanamide
SMILESO=C(CCNc1ccc2cc([N+](=O)[O-])ccc2n1)NCc1ccccc1
InChIInChI=1S/C19H18N4O3/c24-19(21-13-14-4-2-1-3-5-14)10-11-20-18-9-6-15-12-16(23(25)26)7-8-17(15)22-18/h1-9,12H,10-11,13H2,(H,20,22)(H,21,24)
InChIKeyPKXWWLAXUNPSOH-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.26
Rot. Bonds7

About N-benzyl-3-[(6-nitroquinolin-2-yl)amino]propanamide

N-benzyl-3-[(6-nitroquinolin-2-yl)amino]propanamide (PubChem CID 133279470) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-benzyl-3-[(6-nitroquinolin-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[(6-nitroquinolin-2-yl)amino]propanamide
PubChem CID133279470
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-benzyl-3-[(6-nitroquinolin-2-yl)amino]propanamide
SMILESO=C(CCNc1ccc2cc([N+](=O)[O-])ccc2n1)NCc1ccccc1
InChIInChI=1S/C19H18N4O3/c24-19(21-13-14-4-2-1-3-5-14)10-11-20-18-9-6-15-12-16(23(25)26)7-8-17(15)22-18/h1-9,12H,10-11,13H2,(H,20,22)(H,21,24)
InChIKeyPKXWWLAXUNPSOH-UHFFFAOYSA-N
XLogP3.26
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-fluoro-N-[2-[(6-nitroquinolin-2-yl)amino]ethyl]benzamide
CID 133271463
N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
CID 43450811
6-nitro-N-propylquinolin-2-amine
CID 43450859
5-[(6-nitroquinolin-2-yl)amino]pentan-1-ol
CID 107302495
N-(3-methylbutyl)-6-nitroquinolin-2-amine
CID 43450897
6-nitro-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]quinolin-2-amine
CID 133379936
6-nitro-N-[2-(4-phenylpiperazin-1-yl)ethyl]quinolin-2-amine
CID 11619309
6-nitro-N-prop-2-ynylquinolin-2-amine
CID 55040690
N-(2-ethylsulfinylethyl)-6-nitroquinolin-2-amine
CID 115631435
5-nitro-2-[2-(quinolin-2-ylamino)ethylamino]benzamide
CID 133309757
N-benzyl-3-[(2-methyl-8-nitroquinolin-4-yl)amino]propanamide
CID 133437017
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-nitroquinolin-2-amine
CID 133459148

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(6-nitroquinolin-2-yl)amino]propanamide?
The IUPAC name of N-benzyl-3-[(6-nitroquinolin-2-yl)amino]propanamide (CID 133279470) is N-benzyl-3-[(6-nitroquinolin-2-yl)amino]propanamide.
What is the SMILES notation for N-benzyl-3-[(6-nitroquinolin-2-yl)amino]propanamide?
The canonical SMILES for N-benzyl-3-[(6-nitroquinolin-2-yl)amino]propanamide is O=C(CCNc1ccc2cc([N+](=O)[O-])ccc2n1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[(6-nitroquinolin-2-yl)amino]propanamide?
The InChIKey is PKXWWLAXUNPSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c24-19(21-13-14-4-2-1-3-5-14)10-11-20-18-9-6-15-12-16(23(25)26)7-8-17(15)22-18/h1-9,12H,10-11,13H2,(H,20,22)(H,21,24).
What are the key properties of N-benzyl-3-[(6-nitroquinolin-2-yl)amino]propanamide?
N-benzyl-3-[(6-nitroquinolin-2-yl)amino]propanamide has a molecular weight of 350.38 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(6-nitroquinolin-2-yl)amino]propanamide is sourced from PubChem (CID 133279470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).