N,N-dimethyl-2-(3-nitrobenzimidazolo[1,2-c]quinazolin-6-yl)ethanamine

C18H17N5O2 — CID 70382784

IUPACN,N-dimethyl-2-(3-nitrobenzimidazolo[1,2-c]quinazolin-6-yl)ethanamine
SMILESCN(C)CCc1nc2cc([N+](=O)[O-])ccc2c2nc3ccccc3n12
InChIInChI=1S/C18H17N5O2/c1-21(2)10-9-17-19-15-11-12(23(24)25)7-8-13(15)18-20-14-5-3-4-6-16(14)22(17)18/h3-8,11H,9-10H2,1-2H3
InChIKeyZZWHXSZZKXDMIS-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.05
Rot. Bonds4

About N,N-dimethyl-2-(3-nitrobenzimidazolo[1,2-c]quinazolin-6-yl)ethanamine

N,N-dimethyl-2-(3-nitrobenzimidazolo[1,2-c]quinazolin-6-yl)ethanamine (PubChem CID 70382784) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-nitrobenzimidazolo[1,2-c]quinazolin-6-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-nitrobenzimidazolo[1,2-c]quinazolin-6-yl)ethanamine
PubChem CID70382784
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN,N-dimethyl-2-(3-nitrobenzimidazolo[1,2-c]quinazolin-6-yl)ethanamine
SMILESCN(C)CCc1nc2cc([N+](=O)[O-])ccc2c2nc3ccccc3n12
InChIInChI=1S/C18H17N5O2/c1-21(2)10-9-17-19-15-11-12(23(24)25)7-8-13(15)18-20-14-5-3-4-6-16(14)22(17)18/h3-8,11H,9-10H2,1-2H3
InChIKeyZZWHXSZZKXDMIS-UHFFFAOYSA-N
XLogP3.05
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.05
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-2-(3-nitrobenzimidazolo[1,2-c]quinazolin-6-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(3-nitrobenzimidazolo[1,2-c]quinazolin-6-yl)ethanamine (CID 70382784) is N,N-dimethyl-2-(3-nitrobenzimidazolo[1,2-c]quinazolin-6-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(3-nitrobenzimidazolo[1,2-c]quinazolin-6-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(3-nitrobenzimidazolo[1,2-c]quinazolin-6-yl)ethanamine is CN(C)CCc1nc2cc([N+](=O)[O-])ccc2c2nc3ccccc3n12.
What is the InChIKey of N,N-dimethyl-2-(3-nitrobenzimidazolo[1,2-c]quinazolin-6-yl)ethanamine?
The InChIKey is ZZWHXSZZKXDMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-21(2)10-9-17-19-15-11-12(23(24)25)7-8-13(15)18-20-14-5-3-4-6-16(14)22(17)18/h3-8,11H,9-10H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(3-nitrobenzimidazolo[1,2-c]quinazolin-6-yl)ethanamine?
N,N-dimethyl-2-(3-nitrobenzimidazolo[1,2-c]quinazolin-6-yl)ethanamine has a molecular weight of 335.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-nitrobenzimidazolo[1,2-c]quinazolin-6-yl)ethanamine is sourced from PubChem (CID 70382784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).