7-chloro-4-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]quinazolin-2-amine

C24H16ClN5 — CID 119040914

IUPAC7-chloro-4-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]quinazolin-2-amine
SMILESClc1ccc2c(-c3ccccc3)nc(N/N=C/c3ccnc4ccccc34)nc2c1
InChIInChI=1S/C24H16ClN5/c25-18-10-11-20-22(14-18)28-24(29-23(20)16-6-2-1-3-7-16)30-27-15-17-12-13-26-21-9-5-4-8-19(17)21/h1-15H,(H,28,29,30)/b27-15+
InChIKeyHPLKOBCGTFJVCU-JFLMPSFJSA-N
MW409.88 g/mol
LogP5.94
Rot. Bonds4

About 7-chloro-4-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]quinazolin-2-amine

7-chloro-4-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]quinazolin-2-amine (PubChem CID 119040914) has the molecular formula C24H16ClN5 and a molecular weight of 409.88 g/mol. Its IUPAC name is 7-chloro-4-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]quinazolin-2-amine.

Molecular Properties

Compound Name7-chloro-4-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]quinazolin-2-amine
PubChem CID119040914
Molecular FormulaC24H16ClN5
Molecular Weight409.88 g/mol
Exact Mass409.11
IUPAC Name7-chloro-4-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]quinazolin-2-amine
SMILESClc1ccc2c(-c3ccccc3)nc(N/N=C/c3ccnc4ccccc34)nc2c1
InChIInChI=1S/C24H16ClN5/c25-18-10-11-20-22(14-18)28-24(29-23(20)16-6-2-1-3-7-16)30-27-15-17-12-13-26-21-9-5-4-8-19(17)21/h1-15H,(H,28,29,30)/b27-15+
InChIKeyHPLKOBCGTFJVCU-JFLMPSFJSA-N
XLogP5.94
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.88
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 7-chloro-4-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]quinazolin-2-amine?
The IUPAC name of 7-chloro-4-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]quinazolin-2-amine (CID 119040914) is 7-chloro-4-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]quinazolin-2-amine.
What is the SMILES notation for 7-chloro-4-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]quinazolin-2-amine?
The canonical SMILES for 7-chloro-4-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]quinazolin-2-amine is Clc1ccc2c(-c3ccccc3)nc(N/N=C/c3ccnc4ccccc34)nc2c1.
What is the InChIKey of 7-chloro-4-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]quinazolin-2-amine?
The InChIKey is HPLKOBCGTFJVCU-JFLMPSFJSA-N. The full InChI is InChI=1S/C24H16ClN5/c25-18-10-11-20-22(14-18)28-24(29-23(20)16-6-2-1-3-7-16)30-27-15-17-12-13-26-21-9-5-4-8-19(17)21/h1-15H,(H,28,29,30)/b27-15+.
What are the key properties of 7-chloro-4-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]quinazolin-2-amine?
7-chloro-4-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]quinazolin-2-amine has a molecular weight of 409.88 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]quinazolin-2-amine is sourced from PubChem (CID 119040914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).