N,N-dimethyl-4-(6-nitroquinazolin-4-yl)oxycyclohexan-1-amine

C16H20N4O3 — CID 126961337

IUPACN,N-dimethyl-4-(6-nitroquinazolin-4-yl)oxycyclohexan-1-amine
SMILESCN(C)C1CCC(Oc2ncnc3ccc([N+](=O)[O-])cc23)CC1
InChIInChI=1S/C16H20N4O3/c1-19(2)11-3-6-13(7-4-11)23-16-14-9-12(20(21)22)5-8-15(14)17-10-18-16/h5,8-11,13H,3-4,6-7H2,1-2H3
InChIKeyUCYLWJABRYZSHN-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.79
Rot. Bonds4

About N,N-dimethyl-4-(6-nitroquinazolin-4-yl)oxycyclohexan-1-amine

N,N-dimethyl-4-(6-nitroquinazolin-4-yl)oxycyclohexan-1-amine (PubChem CID 126961337) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N,N-dimethyl-4-(6-nitroquinazolin-4-yl)oxycyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(6-nitroquinazolin-4-yl)oxycyclohexan-1-amine
PubChem CID126961337
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN,N-dimethyl-4-(6-nitroquinazolin-4-yl)oxycyclohexan-1-amine
SMILESCN(C)C1CCC(Oc2ncnc3ccc([N+](=O)[O-])cc23)CC1
InChIInChI=1S/C16H20N4O3/c1-19(2)11-3-6-13(7-4-11)23-16-14-9-12(20(21)22)5-8-15(14)17-10-18-16/h5,8-11,13H,3-4,6-7H2,1-2H3
InChIKeyUCYLWJABRYZSHN-UHFFFAOYSA-N
XLogP2.79
TPSA81.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.79
H-Bond Donors ≤ 50
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 N,N-dimethyl-4-(6-nitroquinazolin-4-yl)oxycyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-4-(6-nitroquinazolin-4-yl)oxycyclohexan-1-amine (CID 126961337) is N,N-dimethyl-4-(6-nitroquinazolin-4-yl)oxycyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-(6-nitroquinazolin-4-yl)oxycyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-4-(6-nitroquinazolin-4-yl)oxycyclohexan-1-amine is CN(C)C1CCC(Oc2ncnc3ccc([N+](=O)[O-])cc23)CC1.
What is the InChIKey of N,N-dimethyl-4-(6-nitroquinazolin-4-yl)oxycyclohexan-1-amine?
The InChIKey is UCYLWJABRYZSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-19(2)11-3-6-13(7-4-11)23-16-14-9-12(20(21)22)5-8-15(14)17-10-18-16/h5,8-11,13H,3-4,6-7H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(6-nitroquinazolin-4-yl)oxycyclohexan-1-amine?
N,N-dimethyl-4-(6-nitroquinazolin-4-yl)oxycyclohexan-1-amine has a molecular weight of 316.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(6-nitroquinazolin-4-yl)oxycyclohexan-1-amine is sourced from PubChem (CID 126961337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).