1-cyclopropyl-2-(6-nitroquinazolin-4-yl)ethanamine

C13H14N4O2 — CID 64589887

IUPAC1-cyclopropyl-2-(6-nitroquinazolin-4-yl)ethanamine
SMILESNC(Cc1ncnc2ccc([N+](=O)[O-])cc12)C1CC1
InChIInChI=1S/C13H14N4O2/c14-11(8-1-2-8)6-13-10-5-9(17(18)19)3-4-12(10)15-7-16-13/h3-5,7-8,11H,1-2,6,14H2
InChIKeyDFLJGJNDGYYAAI-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.82
Rot. Bonds4

About 1-cyclopropyl-2-(6-nitroquinazolin-4-yl)ethanamine

1-cyclopropyl-2-(6-nitroquinazolin-4-yl)ethanamine (PubChem CID 64589887) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-(6-nitroquinazolin-4-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(6-nitroquinazolin-4-yl)ethanamine
PubChem CID64589887
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name1-cyclopropyl-2-(6-nitroquinazolin-4-yl)ethanamine
SMILESNC(Cc1ncnc2ccc([N+](=O)[O-])cc12)C1CC1
InChIInChI=1S/C13H14N4O2/c14-11(8-1-2-8)6-13-10-5-9(17(18)19)3-4-12(10)15-7-16-13/h3-5,7-8,11H,1-2,6,14H2
InChIKeyDFLJGJNDGYYAAI-UHFFFAOYSA-N
XLogP1.82
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.82
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

1-cyclopropyl-N-(6-nitroquinazolin-4-yl)ethane-1,2-diamine
CID 65188725
2-(6-nitroquinazolin-4-yl)acetonitrile
CID 64590288
4-(2-chloro-3-methoxypropyl)-6-nitroquinazoline
CID 64588301
1-(6-nitroquinazolin-4-yl)piperidin-4-amine
CID 64589076
N-(1-cyclopropylbutan-2-yl)-6-nitroquinazolin-4-amine
CID 64589271
2-(6-bromo-3-nitroquinolin-4-yl)-1-cyclopropylethanamine
CID 63353378
[1-(6-nitroquinazolin-4-yl)pyrrolidin-3-yl]methanamine
CID 64588479
6-nitro-N-(thiolan-3-ylmethyl)quinazolin-4-amine
CID 107296771
N-(2-methylpiperidin-4-yl)-6-nitroquinazolin-4-amine
CID 106996165
6-nitro-4-(pyrrolidin-3-ylmethoxy)quinazoline
CID 64588096
1-(6-nitroquinazolin-4-yl)piperidine-4-carbaldehyde
CID 64588886
3-methyl-2-N-(6-nitroquinazolin-4-yl)butane-1,2-diamine
CID 65191719

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(6-nitroquinazolin-4-yl)ethanamine?
The IUPAC name of 1-cyclopropyl-2-(6-nitroquinazolin-4-yl)ethanamine (CID 64589887) is 1-cyclopropyl-2-(6-nitroquinazolin-4-yl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(6-nitroquinazolin-4-yl)ethanamine?
The canonical SMILES for 1-cyclopropyl-2-(6-nitroquinazolin-4-yl)ethanamine is NC(Cc1ncnc2ccc([N+](=O)[O-])cc12)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(6-nitroquinazolin-4-yl)ethanamine?
The InChIKey is DFLJGJNDGYYAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-11(8-1-2-8)6-13-10-5-9(17(18)19)3-4-12(10)15-7-16-13/h3-5,7-8,11H,1-2,6,14H2.
What are the key properties of 1-cyclopropyl-2-(6-nitroquinazolin-4-yl)ethanamine?
1-cyclopropyl-2-(6-nitroquinazolin-4-yl)ethanamine has a molecular weight of 258.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(6-nitroquinazolin-4-yl)ethanamine is sourced from PubChem (CID 64589887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).