5-[(6-nitroquinolin-2-yl)amino]pentan-1-ol

C14H17N3O3 — CID 107302495

IUPAC5-[(6-nitroquinolin-2-yl)amino]pentan-1-ol
SMILESO=[N+]([O-])c1ccc2nc(NCCCCCO)ccc2c1
InChIInChI=1S/C14H17N3O3/c18-9-3-1-2-8-15-14-7-4-11-10-12(17(19)20)5-6-13(11)16-14/h4-7,10,18H,1-3,8-9H2,(H,15,16)
InChIKeyJNRCANWEJCXWQP-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.72
Rot. Bonds7

About 5-[(6-nitroquinolin-2-yl)amino]pentan-1-ol

5-[(6-nitroquinolin-2-yl)amino]pentan-1-ol (PubChem CID 107302495) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-[(6-nitroquinolin-2-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[(6-nitroquinolin-2-yl)amino]pentan-1-ol
PubChem CID107302495
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name5-[(6-nitroquinolin-2-yl)amino]pentan-1-ol
SMILESO=[N+]([O-])c1ccc2nc(NCCCCCO)ccc2c1
InChIInChI=1S/C14H17N3O3/c18-9-3-1-2-8-15-14-7-4-11-10-12(17(19)20)5-6-13(11)16-14/h4-7,10,18H,1-3,8-9H2,(H,15,16)
InChIKeyJNRCANWEJCXWQP-UHFFFAOYSA-N
XLogP2.72
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
CID 43450811
6-nitro-N-propylquinolin-2-amine
CID 43450859
N-(3-butoxypropyl)-6-nitroquinolin-2-amine
CID 78894533
N-(3-methylbutyl)-6-nitroquinolin-2-amine
CID 43450897
6-[(6-bromoquinolin-2-yl)amino]hexan-1-ol
CID 133434464
6-nitro-N-prop-2-ynylquinolin-2-amine
CID 55040690
N-(2-ethylsulfinylethyl)-6-nitroquinolin-2-amine
CID 115631435
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-nitroquinolin-2-amine
CID 133459148
2-fluoro-N-[2-[(6-nitroquinolin-2-yl)amino]ethyl]benzamide
CID 133271463
1-[[(6-nitroquinolin-2-yl)amino]methyl]cyclobutan-1-ol
CID 115669126
N-(2-imidazol-1-ylethyl)-6-nitroquinolin-2-amine
CID 61324302
N-benzyl-3-[(6-nitroquinolin-2-yl)amino]propanamide
CID 133279470

Frequently Asked Questions

What is the IUPAC name of 5-[(6-nitroquinolin-2-yl)amino]pentan-1-ol?
The IUPAC name of 5-[(6-nitroquinolin-2-yl)amino]pentan-1-ol (CID 107302495) is 5-[(6-nitroquinolin-2-yl)amino]pentan-1-ol.
What is the SMILES notation for 5-[(6-nitroquinolin-2-yl)amino]pentan-1-ol?
The canonical SMILES for 5-[(6-nitroquinolin-2-yl)amino]pentan-1-ol is O=[N+]([O-])c1ccc2nc(NCCCCCO)ccc2c1.
What is the InChIKey of 5-[(6-nitroquinolin-2-yl)amino]pentan-1-ol?
The InChIKey is JNRCANWEJCXWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-9-3-1-2-8-15-14-7-4-11-10-12(17(19)20)5-6-13(11)16-14/h4-7,10,18H,1-3,8-9H2,(H,15,16).
What are the key properties of 5-[(6-nitroquinolin-2-yl)amino]pentan-1-ol?
5-[(6-nitroquinolin-2-yl)amino]pentan-1-ol has a molecular weight of 275.31 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-nitroquinolin-2-yl)amino]pentan-1-ol is sourced from PubChem (CID 107302495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).