2,4-dichloro-N-ethyl-6-nitroquinazolin-7-amine

C10H8Cl2N4O2 — CID 15516080

IUPAC2,4-dichloro-N-ethyl-6-nitroquinazolin-7-amine
SMILESCCNc1cc2nc(Cl)nc(Cl)c2cc1[N+](=O)[O-]
InChIInChI=1S/C10H8Cl2N4O2/c1-2-13-7-4-6-5(3-8(7)16(17)18)9(11)15-10(12)14-6/h3-4,13H,2H2,1H3
InChIKeyBRIILAKZGGHQLB-UHFFFAOYSA-N
MW287.11 g/mol
LogP3.28
Rot. Bonds3

About 2,4-dichloro-N-ethyl-6-nitroquinazolin-7-amine

2,4-dichloro-N-ethyl-6-nitroquinazolin-7-amine (PubChem CID 15516080) has the molecular formula C10H8Cl2N4O2 and a molecular weight of 287.11 g/mol. Its IUPAC name is 2,4-dichloro-N-ethyl-6-nitroquinazolin-7-amine.

Molecular Properties

Compound Name2,4-dichloro-N-ethyl-6-nitroquinazolin-7-amine
PubChem CID15516080
Molecular FormulaC10H8Cl2N4O2
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name2,4-dichloro-N-ethyl-6-nitroquinazolin-7-amine
SMILESCCNc1cc2nc(Cl)nc(Cl)c2cc1[N+](=O)[O-]
InChIInChI=1S/C10H8Cl2N4O2/c1-2-13-7-4-6-5(3-8(7)16(17)18)9(11)15-10(12)14-6/h3-4,13H,2H2,1H3
InChIKeyBRIILAKZGGHQLB-UHFFFAOYSA-N
XLogP3.28
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 53.28
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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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-ethyl-6-nitroquinazolin-7-amine?
The IUPAC name of 2,4-dichloro-N-ethyl-6-nitroquinazolin-7-amine (CID 15516080) is 2,4-dichloro-N-ethyl-6-nitroquinazolin-7-amine.
What is the SMILES notation for 2,4-dichloro-N-ethyl-6-nitroquinazolin-7-amine?
The canonical SMILES for 2,4-dichloro-N-ethyl-6-nitroquinazolin-7-amine is CCNc1cc2nc(Cl)nc(Cl)c2cc1[N+](=O)[O-].
What is the InChIKey of 2,4-dichloro-N-ethyl-6-nitroquinazolin-7-amine?
The InChIKey is BRIILAKZGGHQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O2/c1-2-13-7-4-6-5(3-8(7)16(17)18)9(11)15-10(12)14-6/h3-4,13H,2H2,1H3.
What are the key properties of 2,4-dichloro-N-ethyl-6-nitroquinazolin-7-amine?
2,4-dichloro-N-ethyl-6-nitroquinazolin-7-amine has a molecular weight of 287.11 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-ethyl-6-nitroquinazolin-7-amine is sourced from PubChem (CID 15516080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).