2-[(6-nitroquinazolin-4-yl)-propylamino]ethanol

C13H16N4O3 — CID 64588684

IUPAC2-[(6-nitroquinazolin-4-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1ncnc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C13H16N4O3/c1-2-5-16(6-7-18)13-11-8-10(17(19)20)3-4-12(11)14-9-15-13/h3-4,8-9,18H,2,5-7H2,1H3
InChIKeyKUFUYSOVGRRVJZ-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.75
Rot. Bonds6

About 2-[(6-nitroquinazolin-4-yl)-propylamino]ethanol

2-[(6-nitroquinazolin-4-yl)-propylamino]ethanol (PubChem CID 64588684) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-[(6-nitroquinazolin-4-yl)-propylamino]ethanol.

Molecular Properties

Compound Name2-[(6-nitroquinazolin-4-yl)-propylamino]ethanol
PubChem CID64588684
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2-[(6-nitroquinazolin-4-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1ncnc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C13H16N4O3/c1-2-5-16(6-7-18)13-11-8-10(17(19)20)3-4-12(11)14-9-15-13/h3-4,8-9,18H,2,5-7H2,1H3
InChIKeyKUFUYSOVGRRVJZ-UHFFFAOYSA-N
XLogP1.75
TPSA92.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-[ethyl-(6-nitroquinazolin-4-yl)amino]propanenitrile
CID 64585313
2-[(6-nitroquinolin-2-yl)-propylamino]ethanol
CID 61425481
3-[(6-nitroquinazolin-4-yl)-propan-2-ylamino]propanenitrile
CID 64585315
2-[(6-aminoquinazolin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 64588093
2-(2,4-dinitro-N-propylanilino)ethanol
CID 61425574
2-[butyl(quinazolin-4-yl)amino]ethanol
CID 61448133
2-[2-hydroxyethyl(propyl)amino]-3-nitropyridine-4-carbonitrile
CID 82812716
2-(hydroxymethyl)-2-[(6-nitroquinazolin-4-yl)amino]propane-1,3-diol
CID 107849416
3-methyl-4-[(6-nitroquinazolin-4-yl)amino]butan-1-ol
CID 66106875
2-[(6-aminoquinazolin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 64589896
[2-(dipropylamino)-5-nitrophenyl]methanol
CID 28963458
(2S)-3-methyl-2-[(6-nitroquinazolin-4-yl)amino]butan-1-ol
CID 79247487

Frequently Asked Questions

What is the IUPAC name of 2-[(6-nitroquinazolin-4-yl)-propylamino]ethanol?
The IUPAC name of 2-[(6-nitroquinazolin-4-yl)-propylamino]ethanol (CID 64588684) is 2-[(6-nitroquinazolin-4-yl)-propylamino]ethanol.
What is the SMILES notation for 2-[(6-nitroquinazolin-4-yl)-propylamino]ethanol?
The canonical SMILES for 2-[(6-nitroquinazolin-4-yl)-propylamino]ethanol is CCCN(CCO)c1ncnc2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 2-[(6-nitroquinazolin-4-yl)-propylamino]ethanol?
The InChIKey is KUFUYSOVGRRVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-2-5-16(6-7-18)13-11-8-10(17(19)20)3-4-12(11)14-9-15-13/h3-4,8-9,18H,2,5-7H2,1H3.
What are the key properties of 2-[(6-nitroquinazolin-4-yl)-propylamino]ethanol?
2-[(6-nitroquinazolin-4-yl)-propylamino]ethanol has a molecular weight of 276.30 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-nitroquinazolin-4-yl)-propylamino]ethanol is sourced from PubChem (CID 64588684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).