3-chloroquinolino[4,3-b]quinolin-7-amine

C16H10ClN3 — CID 10492974

IUPAC3-chloroquinolino[4,3-b]quinolin-7-amine
SMILESNc1c2ccccc2nc2c1cnc1cc(Cl)ccc12
InChIInChI=1S/C16H10ClN3/c17-9-5-6-11-14(7-9)19-8-12-15(18)10-3-1-2-4-13(10)20-16(11)12/h1-8H,(H2,18,20)
InChIKeySPULWVRBHAEJOM-UHFFFAOYSA-N
MW279.73 g/mol
LogP4.17
Rot. Bonds

About 3-chloroquinolino[4,3-b]quinolin-7-amine

3-chloroquinolino[4,3-b]quinolin-7-amine (PubChem CID 10492974) has the molecular formula C16H10ClN3 and a molecular weight of 279.73 g/mol. Its IUPAC name is 3-chloroquinolino[4,3-b]quinolin-7-amine.

Molecular Properties

Compound Name3-chloroquinolino[4,3-b]quinolin-7-amine
PubChem CID10492974
Molecular FormulaC16H10ClN3
Molecular Weight279.73 g/mol
Exact Mass279.06
IUPAC Name3-chloroquinolino[4,3-b]quinolin-7-amine
SMILESNc1c2ccccc2nc2c1cnc1cc(Cl)ccc12
InChIInChI=1S/C16H10ClN3/c17-9-5-6-11-14(7-9)19-8-12-15(18)10-3-1-2-4-13(10)20-16(11)12/h1-8H,(H2,18,20)
InChIKeySPULWVRBHAEJOM-UHFFFAOYSA-N
XLogP4.17
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloroquinolino[4,3-b]quinolin-7-amine?
The IUPAC name of 3-chloroquinolino[4,3-b]quinolin-7-amine (CID 10492974) is 3-chloroquinolino[4,3-b]quinolin-7-amine.
What is the SMILES notation for 3-chloroquinolino[4,3-b]quinolin-7-amine?
The canonical SMILES for 3-chloroquinolino[4,3-b]quinolin-7-amine is Nc1c2ccccc2nc2c1cnc1cc(Cl)ccc12.
What is the InChIKey of 3-chloroquinolino[4,3-b]quinolin-7-amine?
The InChIKey is SPULWVRBHAEJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3/c17-9-5-6-11-14(7-9)19-8-12-15(18)10-3-1-2-4-13(10)20-16(11)12/h1-8H,(H2,18,20).
What are the key properties of 3-chloroquinolino[4,3-b]quinolin-7-amine?
3-chloroquinolino[4,3-b]quinolin-7-amine has a molecular weight of 279.73 g/mol, XLogP of 4.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloroquinolino[4,3-b]quinolin-7-amine is sourced from PubChem (CID 10492974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).