2-[(6-nitroquinolin-2-yl)-propylamino]ethanol

C14H17N3O3 — CID 61425481

IUPAC2-[(6-nitroquinolin-2-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C14H17N3O3/c1-2-7-16(8-9-18)14-6-3-11-10-12(17(19)20)4-5-13(11)15-14/h3-6,10,18H,2,7-9H2,1H3
InChIKeyMCNZCGZYXQDYQM-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.35
Rot. Bonds6

About 2-[(6-nitroquinolin-2-yl)-propylamino]ethanol

2-[(6-nitroquinolin-2-yl)-propylamino]ethanol (PubChem CID 61425481) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[(6-nitroquinolin-2-yl)-propylamino]ethanol.

Molecular Properties

Compound Name2-[(6-nitroquinolin-2-yl)-propylamino]ethanol
PubChem CID61425481
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[(6-nitroquinolin-2-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C14H17N3O3/c1-2-7-16(8-9-18)14-6-3-11-10-12(17(19)20)4-5-13(11)15-14/h3-6,10,18H,2,7-9H2,1H3
InChIKeyMCNZCGZYXQDYQM-UHFFFAOYSA-N
XLogP2.35
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
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

N'-ethyl-N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
CID 114900667
2-[(6-nitroquinazolin-4-yl)-propylamino]ethanol
CID 64588684
2-(2,4-dinitro-N-propylanilino)ethanol
CID 61425574
6-nitro-N-propylquinolin-2-amine
CID 43450859
[2-(dipropylamino)-5-nitrophenyl]methanol
CID 28963458
2-[N-(2-hydroxyethyl)-2-methoxy-5-nitroanilino]ethanol
CID 4640416
3-(6-nitroquinolin-2-yl)sulfanylpropan-1-ol
CID 66112713
1-(6-nitroquinolin-2-yl)butan-2-ol
CID 63201553
2-(N-butyl-2-methyl-5-nitroanilino)ethanol
CID 55091699
2-(6-nitroquinolin-2-yl)pentanoic acid
CID 104571904
2-(4-methyl-3-nitro-N-propylanilino)ethanol
CID 62911117
2-butyl-6-nitroquinazoline
CID 101015505

Frequently Asked Questions

What is the IUPAC name of 2-[(6-nitroquinolin-2-yl)-propylamino]ethanol?
The IUPAC name of 2-[(6-nitroquinolin-2-yl)-propylamino]ethanol (CID 61425481) is 2-[(6-nitroquinolin-2-yl)-propylamino]ethanol.
What is the SMILES notation for 2-[(6-nitroquinolin-2-yl)-propylamino]ethanol?
The canonical SMILES for 2-[(6-nitroquinolin-2-yl)-propylamino]ethanol is CCCN(CCO)c1ccc2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of 2-[(6-nitroquinolin-2-yl)-propylamino]ethanol?
The InChIKey is MCNZCGZYXQDYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-7-16(8-9-18)14-6-3-11-10-12(17(19)20)4-5-13(11)15-14/h3-6,10,18H,2,7-9H2,1H3.
What are the key properties of 2-[(6-nitroquinolin-2-yl)-propylamino]ethanol?
2-[(6-nitroquinolin-2-yl)-propylamino]ethanol has a molecular weight of 275.31 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-nitroquinolin-2-yl)-propylamino]ethanol is sourced from PubChem (CID 61425481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).