N-(3-chlorophenyl)-6-nitroquinazolin-4-amine

C14H9ClN4O2 — CID 11695129

IUPACN-(3-chlorophenyl)-6-nitroquinazolin-4-amine
SMILESO=[N+]([O-])c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
InChIInChI=1S/C14H9ClN4O2/c15-9-2-1-3-10(6-9)18-14-12-7-11(19(20)21)4-5-13(12)16-8-17-14/h1-8H,(H,16,17,18)
InChIKeyUSAMIYATKINXLP-UHFFFAOYSA-N
MW300.71 g/mol
LogP3.93
Rot. Bonds3

About N-(3-chlorophenyl)-6-nitroquinazolin-4-amine

N-(3-chlorophenyl)-6-nitroquinazolin-4-amine (PubChem CID 11695129) has the molecular formula C14H9ClN4O2 and a molecular weight of 300.71 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-nitroquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-nitroquinazolin-4-amine
PubChem CID11695129
Molecular FormulaC14H9ClN4O2
Molecular Weight300.71 g/mol
Exact Mass300.04
IUPAC NameN-(3-chlorophenyl)-6-nitroquinazolin-4-amine
SMILESO=[N+]([O-])c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
InChIInChI=1S/C14H9ClN4O2/c15-9-2-1-3-10(6-9)18-14-12-7-11(19(20)21)4-5-13(12)16-8-17-14/h1-8H,(H,16,17,18)
InChIKeyUSAMIYATKINXLP-UHFFFAOYSA-N
XLogP3.93
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 53.93
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 N-(3-chlorophenyl)-6-nitroquinazolin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-6-nitroquinazolin-4-amine (CID 11695129) is N-(3-chlorophenyl)-6-nitroquinazolin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-nitroquinazolin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-nitroquinazolin-4-amine is O=[N+]([O-])c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1.
What is the InChIKey of N-(3-chlorophenyl)-6-nitroquinazolin-4-amine?
The InChIKey is USAMIYATKINXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4O2/c15-9-2-1-3-10(6-9)18-14-12-7-11(19(20)21)4-5-13(12)16-8-17-14/h1-8H,(H,16,17,18).
What are the key properties of N-(3-chlorophenyl)-6-nitroquinazolin-4-amine?
N-(3-chlorophenyl)-6-nitroquinazolin-4-amine has a molecular weight of 300.71 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-nitroquinazolin-4-amine is sourced from PubChem (CID 11695129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).