6-nitro-4-(piperidin-3-ylmethoxy)quinazoline

C14H16N4O3 — CID 64587900

IUPAC6-nitro-4-(piperidin-3-ylmethoxy)quinazoline
SMILESO=[N+]([O-])c1ccc2ncnc(OCC3CCCNC3)c2c1
InChIInChI=1S/C14H16N4O3/c19-18(20)11-3-4-13-12(6-11)14(17-9-16-13)21-8-10-2-1-5-15-7-10/h3-4,6,9-10,15H,1-2,5,7-8H2
InChIKeyKKPYZALSLSOQQJ-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.92
Rot. Bonds4

About 6-nitro-4-(piperidin-3-ylmethoxy)quinazoline

6-nitro-4-(piperidin-3-ylmethoxy)quinazoline (PubChem CID 64587900) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 6-nitro-4-(piperidin-3-ylmethoxy)quinazoline.

Molecular Properties

Compound Name6-nitro-4-(piperidin-3-ylmethoxy)quinazoline
PubChem CID64587900
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name6-nitro-4-(piperidin-3-ylmethoxy)quinazoline
SMILESO=[N+]([O-])c1ccc2ncnc(OCC3CCCNC3)c2c1
InChIInChI=1S/C14H16N4O3/c19-18(20)11-3-4-13-12(6-11)14(17-9-16-13)21-8-10-2-1-5-15-7-10/h3-4,6,9-10,15H,1-2,5,7-8H2
InChIKeyKKPYZALSLSOQQJ-UHFFFAOYSA-N
XLogP1.92
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.92
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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Frequently Asked Questions

What is the IUPAC name of 6-nitro-4-(piperidin-3-ylmethoxy)quinazoline?
The IUPAC name of 6-nitro-4-(piperidin-3-ylmethoxy)quinazoline (CID 64587900) is 6-nitro-4-(piperidin-3-ylmethoxy)quinazoline.
What is the SMILES notation for 6-nitro-4-(piperidin-3-ylmethoxy)quinazoline?
The canonical SMILES for 6-nitro-4-(piperidin-3-ylmethoxy)quinazoline is O=[N+]([O-])c1ccc2ncnc(OCC3CCCNC3)c2c1.
What is the InChIKey of 6-nitro-4-(piperidin-3-ylmethoxy)quinazoline?
The InChIKey is KKPYZALSLSOQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c19-18(20)11-3-4-13-12(6-11)14(17-9-16-13)21-8-10-2-1-5-15-7-10/h3-4,6,9-10,15H,1-2,5,7-8H2.
What are the key properties of 6-nitro-4-(piperidin-3-ylmethoxy)quinazoline?
6-nitro-4-(piperidin-3-ylmethoxy)quinazoline has a molecular weight of 288.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-4-(piperidin-3-ylmethoxy)quinazoline is sourced from PubChem (CID 64587900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).