1-(6-nitroquinazolin-4-yl)piperidin-4-amine

C13H15N5O2 — CID 64589076

IUPAC1-(6-nitroquinazolin-4-yl)piperidin-4-amine
SMILESNC1CCN(c2ncnc3ccc([N+](=O)[O-])cc23)CC1
InChIInChI=1S/C13H15N5O2/c14-9-3-5-17(6-4-9)13-11-7-10(18(19)20)1-2-12(11)15-8-16-13/h1-2,7-9H,3-6,14H2
InChIKeyYRLIUJRUPGJDBR-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.47
Rot. Bonds2

About 1-(6-nitroquinazolin-4-yl)piperidin-4-amine

1-(6-nitroquinazolin-4-yl)piperidin-4-amine (PubChem CID 64589076) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-(6-nitroquinazolin-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(6-nitroquinazolin-4-yl)piperidin-4-amine
PubChem CID64589076
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name1-(6-nitroquinazolin-4-yl)piperidin-4-amine
SMILESNC1CCN(c2ncnc3ccc([N+](=O)[O-])cc23)CC1
InChIInChI=1S/C13H15N5O2/c14-9-3-5-17(6-4-9)13-11-7-10(18(19)20)1-2-12(11)15-8-16-13/h1-2,7-9H,3-6,14H2
InChIKeyYRLIUJRUPGJDBR-UHFFFAOYSA-N
XLogP1.47
TPSA98.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.47
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

1-(6-nitroquinazolin-4-yl)piperidine-4-carbaldehyde
CID 64588886
[1-(6-nitroquinazolin-4-yl)pyrrolidin-3-yl]methanamine
CID 64588479
4-(4-benzylpiperazin-1-yl)-6-nitroquinazoline
CID 3155791
1-(4-nitrophenyl)piperidin-4-amine
CID 12050747
4-(3-methylpyrazol-1-yl)-6-nitroquinazoline
CID 64588699
methyl hydrogen sulfate;7-nitro-4-[4-[3-[1-(7-nitroquinazolin-4-yl)piperidin-4-yl]propyl]piperidin-1-yl]quinazoline
CID 45049598
1-(2-methyl-5-nitrophenyl)piperidin-4-amine
CID 62589225
1-cyclopropyl-2-(6-nitroquinazolin-4-yl)ethanamine
CID 64589887
(3R)-1-(6-nitro-1H-benzimidazol-2-yl)pyrrolidin-3-amine
CID 71643786
1-[4-(3-aminopyrrolidin-1-yl)-7-nitrophthalazin-1-yl]azetidine-3-carbonitrile
CID 175225936
2-chloro-N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-4-nitrobenzamide
CID 24830041
4-(4-ethylpiperidin-1-yl)quinazolin-6-amine
CID 64589288

Frequently Asked Questions

What is the IUPAC name of 1-(6-nitroquinazolin-4-yl)piperidin-4-amine?
The IUPAC name of 1-(6-nitroquinazolin-4-yl)piperidin-4-amine (CID 64589076) is 1-(6-nitroquinazolin-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-(6-nitroquinazolin-4-yl)piperidin-4-amine?
The canonical SMILES for 1-(6-nitroquinazolin-4-yl)piperidin-4-amine is NC1CCN(c2ncnc3ccc([N+](=O)[O-])cc23)CC1.
What is the InChIKey of 1-(6-nitroquinazolin-4-yl)piperidin-4-amine?
The InChIKey is YRLIUJRUPGJDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c14-9-3-5-17(6-4-9)13-11-7-10(18(19)20)1-2-12(11)15-8-16-13/h1-2,7-9H,3-6,14H2.
What are the key properties of 1-(6-nitroquinazolin-4-yl)piperidin-4-amine?
1-(6-nitroquinazolin-4-yl)piperidin-4-amine has a molecular weight of 273.30 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-nitroquinazolin-4-yl)piperidin-4-amine is sourced from PubChem (CID 64589076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).